UCSF

ZINC34851022

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 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) 2.06 7.02 -53.15 5 10 1 126 532.669 12 ↓
Hi High (pH 8-9.5) 2.06 6.59 -30.99 4 10 0 125 531.661 12 ↓
Mid Mid (pH 6-8) 2.06 5.86 -35.11 5 10 1 122 532.669 12 ↓
Mid Mid (pH 6-8) 2.06 9.29 -127.16 6 10 2 127 533.677 12 ↓
Mid Mid (pH 6-8) 2.06 5.43 -13.72 4 10 0 121 531.661 12 ↓
Lo Low (pH 4.5-6) 2.06 9.75 -165.58 7 10 3 128 534.685 12 ↓
Lo Low (pH 4.5-6) 2.06 8.6 -145.96 7 10 3 124 534.685 12 ↓
Lo Low (pH 4.5-6) 2.06 6.26 -98.96 6 10 2 123 533.677 12 ↓

Activity (Go SEA)

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