UCSF

ZINC65356213

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 25 Yes

Popular Name: (NE,3S,4S)-N-(3H-1,3-benzothiazol-2-ylidene)-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxa (NE,3S,4S)-N-(3H-1,3-benzothiazo…

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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) 2.87 5.15 -59.97 2 6 -1 92 352.395 1 ↓
Mid Mid (pH 6-8) 3.02 3.99 -15.36 2 6 0 86 353.403 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.