UCSF

ZINC19898769

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

Popular Name: 3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methylbenzoyl)-5-…

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Other Names:

MFCD02993677

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) 3.15 7.84 -61.2 0 6 -1 73 419.501 6 ↓
Mid Mid (pH 6-8) 3.15 10.19 -69.91 1 6 0 74 420.509 6 ↓
Lo Low (pH 4.5-6) 3.15 9.36 -49.79 2 6 1 71 421.517 6 ↓

Activity (Go SEA)

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