UCSF

ZINC08715694

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 33 No

Popular Name: 1-(1,3-benzothiazol-2-yl)-4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 1-(1,3-benzothiazol-2-yl)-4-benz…

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Other Names:

MFCD06015900

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) 3.97 9.61 -62.04 1 7 -1 103 457.487 5 ↓
Mid Mid (pH 6-8) 4.42 7.66 -28.45 2 7 0 100 458.495 4 ↓
Mid Mid (pH 6-8) 3.39 8.65 -20.59 1 7 0 97 458.495 5 ↓

Activity (Go SEA)

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