UCSF

ZINC41603722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Popular Name: 1-(6-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[4,3-d]pyrimidin-2-yl)-piperidine-4-carboxylic acid ethyl ester 1-(6-Benzyl-4-oxo-3,4,5,6,7,8-he…

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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) 3.06 13.15 -46.86 2 7 1 80 397.499 6 ↓
Mid Mid (pH 6-8) 3.06 10.86 -15.86 1 7 0 79 396.491 6 ↓

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

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