UCSF

ZINC52576374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 Yes

Popular Name: N-[[1-[2-(benzimidazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(benzimidazol-1-yl)ethy…

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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) 1.51 7.72 -48.62 2 6 1 65 285.375 6 ↓
Hi High (pH 8-9.5) 1.51 6.52 -12.24 1 6 0 61 284.367 6 ↓
Mid Mid (pH 6-8) 1.51 8.2 -87.06 3 6 2 66 286.383 6 ↓

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

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