UCSF

ZINC29133985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 39 Yes

Popular Name: 2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]methyl]-6-met 2-[[6-[[N-(2-hydroxyethyl)anilin…

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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) 3.26 9.96 -50.48 4 9 1 104 531.681 12 ↓
Hi High (pH 8-9.5) 3.26 8.99 -44.45 2 9 -1 102 529.665 12 ↓
Hi High (pH 8-9.5) 3.26 8.78 -16.75 3 9 0 99 530.673 12 ↓
Hi High (pH 8-9.5) 3.26 9.36 -27.42 3 9 0 103 530.673 12 ↓
Mid Mid (pH 6-8) 3.26 11.45 -99.23 5 9 2 101 532.689 12 ↓
Mid Mid (pH 6-8) 3.26 11.74 -68.86 4 9 1 104 531.681 12 ↓
Mid Mid (pH 6-8) 3.26 9.18 -35.15 4 9 1 100 531.681 12 ↓
Mid Mid (pH 6-8) 3.26 12.23 -122.98 5 9 2 105 532.689 12 ↓
Lo Low (pH 4.5-6) 3.26 11.34 -181.16 6 9 3 103 533.697 12 ↓
Lo Low (pH 4.5-6) 3.26 9.2 -96.97 5 9 2 101 532.689 12 ↓

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