UCSF

ZINC01532215

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 20 Yes

Popular Name: Chromotropic acid disodium salt dihydrate Chromotropic acid disodium salt …

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 129-96-4 , 148-25-4 , 3888-44-6 , 5808-22-0 , [129-96-4] , [148-25-4] , [148254-63-1] , [5808-22-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.50 -15.2 -93.4 2 8 -2 154 318.284 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] >300 Acros Organics
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Patent Database Links EP1808169; US2007191330 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN1-4-E Protein-tyrosine Phosphatase 1B (cluster #4 Of 4), Eukaryotic Eukaryotes 9700 0.35 Binding ≤ 10μM
PTP1-1-F Protein-tyrosine Phosphatase 1 (cluster #1 Of 1), Fungal Fungi 6500 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTP1_YEAST P25044 Protein-tyrosine Phosphatase 1, Yeast 6500 0.36 Binding ≤ 10μM
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 9700 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Growth hormone receptor signaling
Integrin alphaIIb beta3 signaling
Regulation of IFNA signaling
Regulation of IFNG signaling

Analogs ( Draw Identity 99% 90% 80% 70% )