UCSF

ZINC01670010

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 2-Hydroxy-3,4-dimethoxybenzoic acid 2-Hydroxy-3,4-dimethoxybenzoic acid

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CAS Numbers: 5653-46-3 , [5653-46-3]

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) 1.48 2.82 -49.72 1 5 -1 79 197.166 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 170-172? Indofine
Therapy prostaglandin synthetase inhibitor SMDC MicroSource

Activity (Go SEA)

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