UCSF

ZINC08440550

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

Popular Name: 4-[4-(allyloxy)benzoyl]-5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-5-(3,4-d…

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Other Names:

MFCD03837927

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) 4.35 9.08 -53.05 0 6 -1 79 461.321 9 ↓
Mid Mid (pH 6-8) 4.79 -0.39 -31.96 1 6 0 76 462.329 8 ↓
Mid Mid (pH 6-8) 3.76 -0.17 -24.93 0 6 0 72 462.329 9 ↓

Activity (Go SEA)

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