UCSF

ZINC05408972

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 No

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

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Other Names:

MFCD03044355

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) 2.72 7.13 -42.12 1 5 -1 81 368.384 5 ↓
Mid Mid (pH 6-8) 2.14 -1.03 -23.55 1 5 0 74 369.392 5 ↓
Mid Mid (pH 6-8) 3.17 5.79 -25.36 2 5 0 78 369.392 4 ↓

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