UCSF

ZINC00702391

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 No

Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-1…

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Other Names:

MFCD03783728

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) 3.88 10.1 -42.94 0 7 -1 95 456.503 5 ↓
Mid Mid (pH 6-8) 3.29 -1.56 -19.5 0 7 0 89 457.511 5 ↓
Mid Mid (pH 6-8) 4.32 -1.77 -29.4 1 7 0 92 457.511 4 ↓
Lo Low (pH 4.5-6) 3.29 -1.44 -48.41 1 7 1 90 458.519 5 ↓
Lo Low (pH 4.5-6) 4.32 -1.66 -58.82 2 7 1 93 458.519 4 ↓

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