UCSF

ZINC16736543

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Substance Information

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

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

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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 8.68 -59.61 0 6 -1 73 435.475 7 ↓
Mid Mid (pH 6-8) 2.79 9.99 -60.16 2 6 1 71 437.491 6 ↓
Mid Mid (pH 6-8) 2.21 10.94 -65.54 1 6 1 68 437.491 7 ↓
Mid Mid (pH 6-8) 2.79 11.03 -74.52 1 6 0 74 436.483 7 ↓

Activity (Go SEA)

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