UCSF

ZINC37320975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 Yes

Popular Name: (1R,3S)-3-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol (1R,3S)-3-[[1-(2-pyridyl)-4-pipe…

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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) 1.84 5.55 -89.7 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.84 5.23 -42.68 3 4 1 53 276.404 3 ↓

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Rings

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

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