UCSF

ZINC69493539

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: N-(1-cyanocycloheptyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide N-(1-cyanocycloheptyl)-2-(6,8-di…

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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) 1.95 4.56 -19.75 1 6 0 82 313.405 3 ↓
Mid Mid (pH 6-8) 1.95 6.75 -58.48 2 6 1 83 314.413 3 ↓

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

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