UCSF

ZINC02526460

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 4-Carbamoyl-3-nitrobenzoic acid 4-Carbamoyl-3-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 87594-59-0 , [87594-59-0]

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) 0.55 2.29 -48.51 2 7 -1 129 209.137 3 ↓

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