UCSF

ZINC04558908

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 14 Yes

Popular Name: 1-Pyridin-2-ylmethyl-piperidin-3-ol 1-Pyridin-2-ylmethyl-piperidin-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 200113-14-0 , 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) 0.33 -2.34 -36.56 2 3 1 38 193.27 2 ↓
Lo Low (pH 4.5-6) 0.33 -2.27 -100.39 3 3 2 39 194.278 2 ↓

Activity (Go SEA)

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