UCSF

ZINC16736546

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 No

Popular Name: (5S)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol-2-one (5S)-5-(4-fluorophenyl)-3-hydrox…

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) 2.79 9.17 -59.26 0 6 -1 73 435.475 7 ↓
Mid Mid (pH 6-8) 2.79 10.46 -65.32 2 6 1 71 437.491 6 ↓
Mid Mid (pH 6-8) 2.21 11.42 -70.86 1 6 1 68 437.491 7 ↓
Mid Mid (pH 6-8) 2.79 11.5 -77.64 1 6 0 74 436.483 7 ↓

Activity (Go SEA)

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