UCSF

ZINC06812882

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 No

Popular Name: 5-(4-fluorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-fluorophenyl)-3-hydroxy-1-(…

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Other Names:

MFCD03291602

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) 2.96 7.73 -60.75 0 6 -1 79 398.41 7 ↓
Mid Mid (pH 6-8) 3.40 1.62 -15.86 1 6 0 76 399.418 6 ↓
Mid Mid (pH 6-8) 2.38 0.82 -13.64 0 6 0 72 399.418 7 ↓

Activity (Go SEA)

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