UCSF

ZINC67489656

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: 2-(1H-benzimidazol-2-yl)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone 2-(1H-benzimidazol-2-yl)-1-(3,7-…

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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) 1.72 6.71 -53.62 2 6 1 57 356.494 2 ↓
Lo Low (pH 4.5-6) 1.72 9.18 -167.78 4 6 3 59 358.51 2 ↓
Lo Low (pH 4.5-6) 1.72 8.96 -113.12 3 6 2 58 357.502 2 ↓
Lo Low (pH 4.5-6) 1.72 6.94 -81.38 3 6 2 58 357.502 2 ↓

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Rings

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

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