UCSF

ZINC35017848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 Yes

Popular Name: 9-hydroxy-10-(hydroxymethyl)-3-methoxy-4,7-dimethyl-6-oxo-benzo[c][1,5]benzodioxepine-1-carboxylic 9-hydroxy-10-(hydroxymethyl)-3-m…

Find On: PubMed — Wikipedia — Google

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) 2.54 3.81 -56.5 2 8 -1 133 359.31 3 ↓
Hi High (pH 8-9.5) 2.54 4.58 -112.76 1 8 -2 136 358.302 3 ↓

Activity (Go SEA)

Rings

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