UCSF

ZINC67955089

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Substance Information

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

Popular Name: 3-(3,4-difluorophenyl)-5-[(1-propylimidazol-2-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(3,4-difluorophenyl)-5-[(1-pro…

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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) 2.80 9.97 -43.81 1 5 1 48 359.4 5 ↓
Hi High (pH 8-9.5) 2.80 9.53 -11.72 0 5 0 47 358.392 5 ↓
Mid Mid (pH 6-8) 2.80 10.95 -51.43 1 5 1 48 359.4 5 ↓

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

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