UCSF

ZINC53537297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 26 Yes

Popular Name: (3R)-3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxy-piperidin- (3R)-3-[[1H-benzimidazol-2-ylmet…

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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) 2.22 5.08 -10.28 2 6 0 72 358.486 6 ↓
Lo Low (pH 4.5-6) 2.22 8.25 -95.29 4 6 2 75 360.502 6 ↓

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

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