UCSF

ZINC52853120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Popular Name: 2-isopropyl-1-[2-(4-pyridyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[2-(4-pyridyl)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) 2.21 7.45 -11.58 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.21 7.91 -29.83 3 4 1 58 281.383 4 ↓
Lo Low (pH 4.5-6) 2.21 8.37 -78.72 4 4 2 59 282.391 4 ↓

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

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