UCSF

ZINC02243830

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 12 Yes

Popular Name: 4-Amino-3-chloro-5-methylbenzoic acid 4-Amino-3-chloro-5-methylbenzoic…

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CAS Numbers: 157069-52-8 , [157069-52-8]

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) 2.31 -0.79 -50.83 2 3 -1 66 184.602 1 ↓

Activity (Go SEA)

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