UCSF

ZINC37192231

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: 2-[2-[(6-amino-3-pyridyl)sulfanyl]acetyl]-5-methyl-isoxazol-3-one 2-[2-[(6-amino-3-pyridyl)sulfany…

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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) 0.85 4.57 -18.56 2 6 0 91 265.294 3 ↓
Lo Low (pH 4.5-6) 0.85 5.05 -46.73 3 6 1 92 266.302 3 ↓

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

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