UCSF

ZINC34851019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 Yes

Popular Name: 2-[[6-[[[2-(2-hydroxyethyl)-3-pyridyl]amino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]met 2-[[6-[[[2-(2-hydroxyethyl)-3-py…

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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) 2.31 6.85 -45.69 5 10 1 126 518.642 12 ↓
Hi High (pH 8-9.5) 2.31 6.42 -30.68 4 10 0 125 517.634 12 ↓
Mid Mid (pH 6-8) 2.31 7.81 -101.16 6 10 2 123 519.65 12 ↓
Mid Mid (pH 6-8) 2.31 5.53 -37.49 5 10 1 122 518.642 12 ↓
Mid Mid (pH 6-8) 2.31 9.13 -95.21 6 10 2 127 519.65 12 ↓
Mid Mid (pH 6-8) 2.31 5.1 -17.58 4 10 0 121 517.634 12 ↓
Lo Low (pH 4.5-6) 2.31 9.55 -145.35 7 10 3 128 520.658 12 ↓
Lo Low (pH 4.5-6) 2.31 8.22 -144.45 7 10 3 124 520.658 12 ↓
Lo Low (pH 4.5-6) 2.31 6.09 -102.31 6 10 2 123 519.65 12 ↓

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