UCSF

ZINC69516466

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 18 Yes

Popular Name: 3,5-dimethyl-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]isoxazole 3,5-dimethyl-4-[(1-methyl-6,7-di…

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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) -0.27 5.97 -37.62 1 5 1 48 247.322 2 ↓
Hi High (pH 8-9.5) -0.27 5.51 -14.14 0 5 0 47 246.314 2 ↓
Lo Low (pH 4.5-6) -0.27 8.17 -107.9 2 5 2 50 248.33 2 ↓

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

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