UCSF

ZINC69774325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 No

Popular Name: 3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-nitro-benzamide 3-methyl-N-[2-(1-methylbenzimida…

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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) 2.94 9.03 -18.64 1 7 0 93 338.367 5 ↓
Mid Mid (pH 6-8) 2.94 9.44 -43.48 2 7 1 94 339.375 5 ↓

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

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