UCSF

ZINC09409283

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 Yes

Popular Name: 8-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-(2-hydroxyethyl)-2-(2-hydroxyphenyl)-3,4,7-triazabicyclo[3. 8-(3-bromo-4-hydroxy-5-methoxy-p…

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) 2.42 0.9 -18.2 4 8 0 119 460.284 5 ↓
Hi High (pH 8-9.5) 2.22 0.58 -55.16 2 8 -1 118 459.276 5 ↓
Mid Mid (pH 6-8) 2.42 1.66 -56.67 3 8 -1 122 459.276 5 ↓

Activity (Go SEA)

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