UCSF

ZINC67956283

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 2-[2-[ethyl-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]carbamoyl]anilino]acetic 2-[2-[ethyl-[2-(5-methyl-1H-benz…

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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) 1.25 9.33 -65.12 2 7 -1 101 379.44 8 ↓
Lo Low (pH 4.5-6) 1.25 7.76 -35.57 4 7 1 100 381.456 8 ↓
Lo Low (pH 4.5-6) 1.25 9.74 -61.64 3 7 0 102 380.448 8 ↓

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

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