UCSF

ZINC06194364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 33 No

Popular Name: 4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2, 4-[hydroxy-(4-isopropoxy-3-methy…

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) 2.48 9.43 -60.05 0 7 -1 95 442.495 7 ↓
Mid Mid (pH 6-8) 2.48 9.62 -12.92 1 7 0 93 443.503 7 ↓
Mid Mid (pH 6-8) 1.89 10.27 -20.9 0 7 0 89 443.503 7 ↓
Lo Low (pH 4.5-6) 2.48 9.9 -52.31 2 7 1 94 444.511 7 ↓
Lo Low (pH 4.5-6) 1.89 10.55 -64.52 1 7 1 91 444.511 7 ↓
Lo Low (pH 4.5-6) 2.48 9.91 -46.84 2 7 1 94 444.511 7 ↓
Lo Low (pH 4.5-6) 1.89 10.56 -60.21 1 7 1 91 444.511 7 ↓
Lo Low (pH 4.5-6) 2.48 10.19 -103.34 3 7 2 95 445.519 7 ↓
Lo Low (pH 4.5-6) 1.89 10.84 -120.62 2 7 2 92 445.519 7 ↓

Activity (Go SEA)

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