UCSF

ZINC09409116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 36 Yes

Popular Name: 8-(4-butoxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-7-(3-isopropoxypropyl)-3,4,7-triazabicyclo[3.3.0]o 8-(4-butoxy-3-methoxy-phenyl)-2-…

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) 4.82 9.73 -16.81 2 8 0 97 493.604 12 ↓
Mid Mid (pH 6-8) 4.82 10.5 -56.43 1 8 -1 100 492.596 12 ↓

Activity (Go SEA)

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