UCSF

ZINC08440600

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 34 No

Popular Name: 4-[4-(allyloxy)benzoyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-5-(4-ter…

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Other Names:

MFCD03837936

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) 5.04 11.5 -59.43 0 6 -1 79 462.566 11 ↓
Mid Mid (pH 6-8) 5.49 1.19 -27.01 1 6 0 76 463.574 10 ↓
Mid Mid (pH 6-8) 4.46 1.48 -20.33 0 6 0 72 463.574 11 ↓

Activity (Go SEA)

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