UCSF

ZINC34851021

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 Yes

Popular Name: 2-[[6-[[[2-(2-hydroxyethyl)-5-methyl-3-pyridyl]amino]methyl]-2-(3-morpholinopropylamino)benzimidazol 2-[[6-[[[2-(2-hydroxyethyl)-5-me…

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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) 2.74 7.52 -45.74 5 10 1 126 532.669 12 ↓
Hi High (pH 8-9.5) 2.74 7.08 -30.52 4 10 0 125 531.661 12 ↓
Mid Mid (pH 6-8) 2.74 9.79 -95.31 6 10 2 127 533.677 12 ↓
Mid Mid (pH 6-8) 2.74 6.2 -37.44 5 10 1 122 532.669 12 ↓
Mid Mid (pH 6-8) 2.74 5.76 -17.51 4 10 0 121 531.661 12 ↓
Lo Low (pH 4.5-6) 2.74 10.2 -144.34 7 10 3 128 534.685 12 ↓
Lo Low (pH 4.5-6) 2.74 6.75 -102.49 6 10 2 123 533.677 12 ↓
Lo Low (pH 4.5-6) 2.74 8.88 -143.36 7 10 3 124 534.685 12 ↓

Activity (Go SEA)

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