UCSF

ZINC48984768

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 No

Popular Name: 2-[1-(cyclopropylmethyl)-4-piperidylidene]-2-(2-pyridyl)acetonitrile 2-[1-(cyclopropylmethyl)-4-piper…

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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) 2.02 9.61 -43.34 1 3 1 41 254.357 3 ↓
Hi High (pH 8-9.5) 2.02 7.43 -5.71 0 3 0 40 253.349 3 ↓

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

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