UCSF

ZINC00702727

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 No

Popular Name: 5-(4-bromophenyl)-4-(4-ethoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(4-bromophenyl)-4-(4-ethoxyben…

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Other Names:

MFCD03213800

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) 4.28 10.23 -38.95 0 6 -1 83 481.322 7 ↓
Mid Mid (pH 6-8) 4.72 0.12 -26.35 1 6 0 79 482.33 6 ↓
Mid Mid (pH 6-8) 3.69 0.4 -19.37 0 6 0 76 482.33 7 ↓

Activity (Go SEA)

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