UCSF

ZINC19865438

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 Yes

Popular Name: (3S)-N-benzyl-N-methyl-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidin-3-amine (3S)-N-benzyl-N-methyl-1-[1-(2-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) 2.81 9.64 -37.2 1 4 1 24 379.572 6 ↓
Hi High (pH 8-9.5) 2.81 7.17 -4.58 0 4 0 23 378.564 6 ↓
Mid Mid (pH 6-8) 2.81 11.98 -86.96 2 4 2 25 380.58 6 ↓
Lo Low (pH 4.5-6) 2.81 9.57 -81.48 2 4 2 25 380.58 6 ↓
Lo Low (pH 4.5-6) 2.81 12 -173.79 3 4 3 26 381.588 6 ↓

Activity (Go SEA)

Rings

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