UCSF

ZINC67739421

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 5-[(3-methyl-2-pyridyl)methyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(3-methyl-2-pyridyl)methyl]-3…

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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) 4.02 8.73 -8.56 0 4 0 42 373.378 4 ↓
Mid Mid (pH 6-8) 4.02 9.08 -41.91 1 4 1 43 374.386 4 ↓
Mid Mid (pH 6-8) 4.02 11.05 -47.53 1 4 1 43 374.386 4 ↓

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

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