UCSF

ZINC55008629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 No

Popular Name: 4-nitro-1-methyl-N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-1H-pyrazole-3-carboxamide 4-nitro-1-methyl-N-{1-[2-(1-pipe…

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Other Names:

MFCD01834878

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) 2.40 12.28 -54.3 2 10 1 118 398.447 5 ↓
Hi High (pH 8-9.5) 2.40 10.07 -19.44 1 10 0 117 397.439 5 ↓

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

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