UCSF

ZINC09015123

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 No

Popular Name: 4-(4-chlorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-1-(2-furylme…

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Other Names:

MFCD03213565

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) 3.74 9.46 -54.83 0 6 -1 83 422.844 6 ↓
Mid Mid (pH 6-8) 3.16 9.72 -11.82 0 6 0 77 423.852 6 ↓
Mid Mid (pH 6-8) 4.19 9.48 -17.68 1 6 0 80 423.852 5 ↓

Activity (Go SEA)

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