UCSF

ZINC09068006

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 36 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2 4-[hydroxy-(3-methoxyphenyl)-met…

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) 2.20 7.33 -62.74 0 9 -1 110 489.504 9 ↓
Mid Mid (pH 6-8) 2.65 6.39 -14.62 1 9 0 107 490.512 8 ↓
Lo Low (pH 4.5-6) 2.65 6.71 -40.19 2 9 1 109 491.52 8 ↓

Activity (Go SEA)

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