UCSF

ZINC08845136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 Yes

Popular Name: 8-(3-ethoxy-4-hydroxy-phenyl)-2-(2-hydroxyphenyl)-7-(4-pyridylmethyl)-3,4,7-triazabicyclo[3.3.0]octa 8-(3-ethoxy-4-hydroxy-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) 2.57 5.79 -17.56 3 8 0 112 442.475 6 ↓
Mid Mid (pH 6-8) 2.57 6.57 -55.6 2 8 -1 114 441.467 6 ↓
Lo Low (pH 4.5-6) 2.57 5.56 -45.33 4 8 1 113 443.483 6 ↓

Activity (Go SEA)

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