UCSF

ZINC67947505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 Yes

Popular Name: (3R)-3-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]-1-(cyclohexylmethyl)-3-hydroxy-piperidi (3R)-3-[[2,1,3-benzoxadiazol-5-y…

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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) 3.15 8.25 -48.5 2 7 1 84 387.504 6 ↓
Mid Mid (pH 6-8) 3.15 6.02 -12.48 1 7 0 83 386.496 6 ↓

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

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