UCSF

ZINC41473144

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 No

Popular Name: N-[(1-methylimidazol-2-yl)methyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine N-[(1-methylimidazol-2-yl)methyl…

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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) 2.30 8.07 -81.36 3 4 2 45 298.415 3 ↓
Hi High (pH 8-9.5) 2.30 7.22 -10.4 1 4 0 43 296.399 3 ↓
Mid Mid (pH 6-8) 2.30 7.61 -30.71 2 4 1 44 297.407 3 ↓

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

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