UCSF

ZINC65531084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: 1-(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carbonitrile 1-(6-ethyl-7,8-dihydro-5H-pyrido…

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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) 1.40 9.44 -52 1 5 1 57 272.376 2 ↓
Hi High (pH 8-9.5) 1.40 7.18 -10.3 0 5 0 56 271.368 2 ↓

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

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