UCSF

ZINC13548583

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 No

Popular Name: 5-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-tert-butylphenyl)-1-(6-ethy…

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Other Names:

MFCD03688106

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) 6.71 14.34 -59.79 0 6 -1 86 499.612 6 ↓
Mid Mid (pH 6-8) 7.15 13.98 -20.61 1 6 0 84 500.62 5 ↓
Mid Mid (pH 6-8) 6.12 15.69 -11.39 0 6 0 80 500.62 6 ↓

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