UCSF

ZINC06693060

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Substance Information

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

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

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Other Names:

MFCD03779340

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) 3.34 6.9 -64.73 1 6 -1 90 422.501 9 ↓
Mid Mid (pH 6-8) 3.79 -1.62 -23.88 2 6 0 87 423.509 8 ↓
Mid Mid (pH 6-8) 2.76 -1.98 -14.88 1 6 0 83 423.509 9 ↓

Activity (Go SEA)

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