UCSF

ZINC33816941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 No

Popular Name: 4-[[5-(2-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrol-3-yl]methyl]thiomorpholine 4-[[5-(2-chlorophenyl)-1-(2-fluo…

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) 5.17 13.32 -8.81 0 2 0 8 400.95 4 ↓
Mid Mid (pH 6-8) 5.17 15.35 -39.58 1 2 1 9 401.958 4 ↓

Activity (Go SEA)

Rings

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