UCSF

ZINC03880420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 19 Yes

Popular Name: Neutral Red Neutral Red

Find On: PubMed — Wikipedia — Google

CAS Numbers: 553-24-2 , [553-24-2]

Download: MOL2 SDF SMILES Flexibase

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) 3.15 -2.48 -12.47 2 4 0 55 252.321 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 290 Acros Organics
Purity 95% Fluorochem
H phrase H341: Suspected of causing genetic defects Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R68: Possible risks of irreversible effects. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100272-1-O Internal Ribosome Entry Site (IRES) (cluster #1 Of 1), Other Other 20 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100272 Z100272 Internal Ribosome Entry Site (IRES) 20 0.57 Binding ≤ 1μM
Z100272 Z100272 Internal Ribosome Entry Site (IRES) 20 0.57 Binding ≤ 10μM

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