UCSF

ZINC20909737

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 32 Yes

Popular Name: N-[[(3R)-1-[1-(2-pyridylmethyl)-4-piperidyl]-3-piperidyl]methyl]-1,3-benzodioxole-5-carboxamide N-[[(3R)-1-[1-(2-pyridylmethyl)-…

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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) 2.47 7.55 -55.21 2 7 1 68 437.564 6 ↓
Mid Mid (pH 6-8) 2.47 7.66 -47.23 2 7 1 68 437.564 6 ↓

Activity (Go SEA)

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