UCSF

ZINC54425989

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 30 Yes

Popular Name: (4R)-4-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-am (4R)-4-[3,5-dimethyl-4-(2-pyridy…

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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) 3.79 11.88 -43.97 4 7 1 90 399.478 4 ↓
Mid Mid (pH 6-8) 3.66 11.43 -20.6 3 7 0 90 398.47 4 ↓
Mid Mid (pH 6-8) 3.66 11.92 -42.08 4 7 1 92 399.478 4 ↓

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

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