UCSF

ZINC04632421

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 29 No

Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(3-isopropoxypropyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-1-…

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Other Names:

MFCD07392443

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) 2.81 9.11 -56.1 0 6 -1 83 413.881 8 ↓
Mid Mid (pH 6-8) 3.26 -1.67 -30.93 1 6 0 79 414.889 7 ↓
Mid Mid (pH 6-8) 2.23 -1.46 -23.86 0 6 0 76 414.889 8 ↓
Lo Low (pH 4.5-6) 3.26 -1.55 -63.97 2 6 1 80 415.897 7 ↓

Activity (Go SEA)

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