UCSF

ZINC29134034

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 37 Yes

Popular Name: 6-methyl-2-[[6-[(3-methylanilino)methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]methyl]pyridin 6-methyl-2-[[6-[(3-methylanilino…

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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) 4.08 11.24 -48.61 4 8 1 93 501.655 10 ↓
Hi High (pH 8-9.5) 4.08 10.29 -45.06 2 8 -1 90 499.639 10 ↓
Hi High (pH 8-9.5) 4.08 9.51 -14.07 3 8 0 87 500.647 10 ↓
Hi High (pH 8-9.5) 4.08 10.9 -32.15 3 8 0 92 500.647 10 ↓
Mid Mid (pH 6-8) 4.08 12.72 -97.09 5 8 2 90 502.663 10 ↓
Mid Mid (pH 6-8) 4.08 13.04 -90.54 4 8 1 93 501.655 10 ↓
Mid Mid (pH 6-8) 4.08 10.44 -33.12 4 8 1 89 501.655 10 ↓
Mid Mid (pH 6-8) 4.08 13.51 -120.58 5 8 2 94 502.663 10 ↓
Lo Low (pH 4.5-6) 4.08 12.88 -188.36 6 8 3 91 503.671 10 ↓
Lo Low (pH 4.5-6) 4.08 10.69 -94.79 5 8 2 90 502.663 10 ↓

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