UCSF

ZINC09186730

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 30 No

Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-5…

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Other Names:

MFCD03009192

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) 3.01 9.05 -56.04 0 7 -1 95 420.47 5 ↓
Mid Mid (pH 6-8) 2.43 0.47 -12.78 0 7 0 89 421.478 5 ↓
Lo Low (pH 4.5-6) 3.01 8.23 -16.01 1 7 0 93 421.478 5 ↓

Activity (Go SEA)

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