UCSF

ZINC69799389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (2R,3R)-1-propyl-2-(2-pyridyl)piperidin-3-amine (2R,3R)-1-propyl-2-(2-pyridyl)pi…

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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) 0.90 2.65 -38.32 3 3 1 44 220.34 3 ↓
Hi High (pH 8-9.5) 0.90 2.4 -4.34 2 3 0 42 219.332 3 ↓
Hi High (pH 8-9.5) 0.90 5.28 -27.99 3 3 1 43 220.34 3 ↓
Mid Mid (pH 6-8) 0.90 3.62 -104.18 4 3 2 45 221.348 3 ↓
Lo Low (pH 4.5-6) 0.90 5.54 -104.56 4 3 2 45 221.348 3 ↓

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

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