UCSF

ZINC08715679

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 28 No

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

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Other Names:

MFCD08728987

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) 3.84 7.94 -55.25 1 5 -1 81 419.284 5 ↓
Mid Mid (pH 6-8) 4.29 6.75 -26.33 2 5 0 78 420.292 4 ↓
Mid Mid (pH 6-8) 3.26 7.68 -13.78 1 5 0 75 420.292 5 ↓

Activity (Go SEA)

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