UCSF

ZINC00389638

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Popular Name: 2-HYDROXY-3-ISOPROPYLBENZOIC ACID 2-HYDROXY-3-ISOPROPYLBENZOIC ACID

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CAS Number: 7053-88-5

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) 2.65 0.25 -53.68 1 3 -1 60 179.195 2 ↓

Activity (Go SEA)

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