UCSF

ZINC55568709

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 26 Yes

Popular Name: 2-[3-[2-(7-methyl-1H-benzimidazol-2-yl)ethylcarbamoyl]anilino]acetic 2-[3-[2-(7-methyl-1H-benzimidazo…

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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) 1.10 6.35 -58.05 3 7 -1 110 351.386 7 ↓
Lo Low (pH 4.5-6) 1.10 4.78 -43.32 5 7 1 108 353.402 7 ↓
Lo Low (pH 4.5-6) 1.10 6.77 -70.63 4 7 0 111 352.394 7 ↓

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

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