UCSF

ZINC06412939

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 No

Popular Name: 5-(2-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(5-methylisoxazol-3-yl)-pyrrolidine-2,3 5-(2-fluorophenyl)-4-[hydroxy-(4…

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) 3.08 9.24 -64.17 0 7 -1 96 407.377 5 ↓
Mid Mid (pH 6-8) 3.52 1.92 -17.38 1 7 0 92 408.385 4 ↓
Mid Mid (pH 6-8) 2.49 2.64 -12.04 0 7 0 89 408.385 5 ↓

Activity (Go SEA)

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