UCSF

ZINC11820668

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 25 Yes

Popular Name: 3-(2-fluorophenyl)-5-(3-pyridylsulfonyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(2-fluorophenyl)-5-(3-pyridyls…

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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) 2.06 -2.5 -18.78 0 6 0 76 359.382 3 ↓
Lo Low (pH 4.5-6) 2.06 -2.39 -57.49 1 6 1 78 360.39 3 ↓

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

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