UCSF

ZINC29134515

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 40 No

Popular Name: 2-[[6-[[2-(3-hydroxypropyl)anilino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]methyl]-6-me 2-[[6-[[2-(3-hydroxypropyl)anili…

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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) 3.67 9.58 -52.33 5 9 1 113 545.708 13 ↓
Hi High (pH 8-9.5) 3.67 8.58 -50.42 3 9 -1 111 543.692 13 ↓
Hi High (pH 8-9.5) 3.67 8.2 -15.68 4 9 0 108 544.7 13 ↓
Hi High (pH 8-9.5) 3.67 9.18 -36.41 4 9 0 112 544.7 13 ↓
Mid Mid (pH 6-8) 3.67 10.72 -96.4 6 9 2 110 546.716 13 ↓
Mid Mid (pH 6-8) 3.67 11.34 -95.36 5 9 1 113 545.708 13 ↓
Mid Mid (pH 6-8) 3.67 8.44 -34.08 5 9 1 109 545.708 13 ↓
Mid Mid (pH 6-8) 3.67 11.85 -126.64 6 9 2 114 546.716 13 ↓
Lo Low (pH 4.5-6) 3.67 11.15 -192.25 7 9 3 111 547.724 13 ↓
Lo Low (pH 4.5-6) 3.67 8.82 -99.09 6 9 2 110 546.716 13 ↓

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