UCSF

ZINC00702610

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Substance Information

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

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

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Other Names:

MFCD03464868

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) 4.47 12.41 -53.4 0 6 -1 86 432.525 5 ↓
Mid Mid (pH 6-8) 3.88 1.09 -16.9 0 6 0 80 433.533 5 ↓
Mid Mid (pH 6-8) 4.91 0.79 -25.29 1 6 0 83 433.533 4 ↓

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