UCSF

ZINC69818602

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 Yes

Popular Name: 2-methyl-3-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]quinoxaline 2-methyl-3-[(1-methyl-6,7-dihydr…

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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) 1.13 6.91 -35.47 1 5 1 48 294.382 2 ↓
Hi High (pH 8-9.5) 1.13 6.45 -17.22 0 5 0 47 293.374 2 ↓
Lo Low (pH 4.5-6) 1.13 9.15 -102.82 2 5 2 49 295.39 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.