UCSF

ZINC34851023

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Substance Information

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

Popular Name: 2-[[6-[[[4-(2-hydroxyethyl)-3-pyridyl]amino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]met 2-[[6-[[[4-(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) 2.00 6.44 -55.3 5 10 1 126 518.642 12 ↓
Hi High (pH 8-9.5) 2.00 6.01 -32.99 4 10 0 125 517.634 12 ↓
Mid Mid (pH 6-8) 2.00 8.73 -127.44 6 10 2 127 519.65 12 ↓
Mid Mid (pH 6-8) 2.00 5.28 -35.35 5 10 1 122 518.642 12 ↓
Mid Mid (pH 6-8) 2.00 4.85 -13.77 4 10 0 121 517.634 12 ↓
Lo Low (pH 4.5-6) 2.00 8.02 -145.73 7 10 3 124 520.658 12 ↓
Lo Low (pH 4.5-6) 2.00 9.18 -165.05 7 10 3 128 520.658 12 ↓
Lo Low (pH 4.5-6) 2.00 5.85 -103.28 6 10 2 123 519.65 12 ↓

Activity (Go SEA)

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