UCSF

ZINC00097204

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 No

Popular Name: 3-(3-carboxyprop-2-enoylamino)benzoic acid, 95% 3-(3-carboxyprop-2-enoylamino)be…

Find On: PubMed — Wikipedia — Google

CAS Number: 591750-27-5

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) 0.77 3.36 -113.39 1 6 -2 109 233.179 4 ↓

Activity (Go SEA)

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