UCSF

ZINC65356194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 28 Yes

Popular Name: (NE,3S,4R)-N-(6-bromo-3H-1,3-benzothiazol-2-ylidene)-4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinoline-3 (NE,3S,4R)-N-(6-bromo-3H-1,3-ben…

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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) 4.53 8.45 -56.17 2 6 -1 92 459.345 3 ↓
Mid Mid (pH 6-8) 4.68 7.96 -13.87 2 6 0 86 460.353 3 ↓

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

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