UCSF

ZINC67458708

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.54 9.23 -41.68 1 5 1 48 341.41 4 ↓
Hi High (pH 8-9.5) 2.54 8.81 -11.63 0 5 0 47 340.402 4 ↓
Lo Low (pH 4.5-6) 2.54 11.46 -120.1 2 5 2 50 342.418 4 ↓
Lo Low (pH 4.5-6) 2.54 10.99 -46.03 1 5 1 48 341.41 4 ↓

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Rings

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

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