UCSF

ZINC70296840

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 Yes

Popular Name: (2S,3R)-1-methyl-2-(1-naphthyl)piperidin-3-amine (2S,3R)-1-methyl-2-(1-naphthyl)p…

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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) 2.35 5.8 -38.42 3 2 1 31 241.358 1 ↓
Lo Low (pH 4.5-6) 2.35 7.69 -109.35 4 2 2 32 242.366 1 ↓
Lo Low (pH 4.5-6) 2.35 7.45 -35.45 3 2 1 30 241.358 1 ↓

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

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