UCSF

ZINC53628683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 26 Yes

Popular Name: 1-[(6R)-2-chloro-6H-purin-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide 1-[(6R)-2-chloro-6H-purin-6-yl]-…

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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) 0.56 4.24 -48.08 3 9 1 113 375.844 5 ↓
Mid Mid (pH 6-8) 0.56 3.77 -20.25 2 9 0 112 374.836 5 ↓

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

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