UCSF

ZINC00156898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 15 Yes

Popular Name: 3,7-Dihydroxy-2-naphthoic acid 3,7-Dihydroxy-2-naphthoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83511-07-3 , [83511-07-3]

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) 2.53 -2.49 -54.71 2 4 -1 81 203.173 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.90e-01 g/l DrugBank-experimental
Purity 95% Fluorochem
Purity 97% APIChem

Activity (Go SEA)

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