UCSF

ZINC54823799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 17 Yes

Popular Name: (1S,2R)-2-[2-(2-pyridyl)ethylamino]cyclohexanecarbonitrile (1S,2R)-2-[2-(2-pyridyl)ethylami…

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Download: MOL2 SDF SMILES Flexibase

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) 2.29 6.64 -46.27 2 3 1 53 230.335 4 ↓
Hi High (pH 8-9.5) 2.29 5.58 -8.84 1 3 0 49 229.327 4 ↓

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

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