UCSF

ZINC23247784

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 29 Yes

Popular Name: 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-(2-pyridylmethyl)amino]methyl]-1,3-dimethyl-benzimidazol-2-o 5-[[[(2S)-1-ethylpyrrolidin-2-yl…

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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) 2.01 8.86 -54.33 1 6 1 48 394.543 7 ↓
Hi High (pH 8-9.5) 2.01 7.87 -12.18 0 6 0 46 393.535 7 ↓
Mid Mid (pH 6-8) 2.01 10.41 -46.4 1 6 1 48 394.543 7 ↓
Mid Mid (pH 6-8) 2.01 10.27 -101.95 2 6 2 49 395.551 7 ↓

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

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