UCSF

ZINC00156441

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 13 Yes

Popular Name: 2,4-DIHYDROXY-3,6-DIMETHYLBENZOIC ACID 2,4-DIHYDROXY-3,6-DIMETHYLBENZOI…

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CAS Number: 4707-46-4

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) 1.96 0.95 -52.7 2 4 -1 81 181.167 1 ↓

Activity (Go SEA)

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