UCSF

ZINC65171078

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 30 Yes

Popular Name: N-(2-cyclohexen-1-ylethyl)-2-[5-ethyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-cyclohexen-1-ylethyl)-2-[5-…

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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) 2.81 9.42 -18.81 1 7 0 90 423.542 7 ↓
Lo Low (pH 4.5-6) 2.81 9.88 -49.1 2 7 1 91 424.55 7 ↓

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

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