UCSF

ZINC01529512

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: Phenylphosphoric Acid Phenylphosphoric Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3279-54-7 , 66778-08-3 , 701-64-4 , [3279-54-7] , [66778-08-3]

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) 0.71 3.42 -138.99 0 4 -2 72 172.076 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 TCI
ALOGPS_SOLUBILITY 7.64e+00 g/l DrugBank-experimental
Mp [°C] >300 Acros Organics
UniProt Database Links APHA_ECOLI; PAAD_THAAR; PPA26_ARATH ChEBI
Patent Database Links EP1211275; WO2005089269; WO2005115361 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-3-E Tyrosine-protein Kinase SRC (cluster #3 Of 3), Eukaryotic Eukaryotes 3500 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3500 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Signaling by ERBB2

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

No pre-computed analogs available. Try a structural similarity search.