UCSF

ZINC12956692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 Yes

Popular Name: 3-Chloro-5-methoxybenzoic acid 3-Chloro-5-methoxybenzoic acid

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CAS Numbers: 82477-67-6 , [82477-67-6]

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) 2.51 3.92 -47.26 0 3 -1 49 185.586 2 ↓
Hi High (pH 8-9.5) 0.55 2.49 -91.52 8 8 2 133 442.47 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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