UCSF

ZINC67649499

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 29 Yes

Popular Name: (3S)-3-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]-3-hydroxy-1-(m-tolylmethyl)piperidin-2- (3S)-3-[[2,1,3-benzoxadiazol-5-y…

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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) 2.68 8.77 -51.33 2 7 1 84 395.483 6 ↓
Mid Mid (pH 6-8) 2.68 6.56 -13.25 1 7 0 83 394.475 6 ↓

Activity (Go SEA)

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