UCSF

ZINC40434834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 Yes

Popular Name: 1-Pyridin-2-ylmethyl-piperidin-3-ylamine dihydrochloride 1-Pyridin-2-ylmethyl-piperidin-3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185312-66-6 , N/A

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) -0.16 1.79 -45.41 3 3 1 44 192.286 2 ↓
Mid Mid (pH 6-8) -0.16 1.82 -87.37 4 3 2 45 193.294 2 ↓
Mid Mid (pH 6-8) -0.16 4.05 -112.64 4 3 2 45 193.294 2 ↓

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

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