UCSF

ZINC37182608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

Popular Name: 2-[(3-amino-4-pyridyl)sulfanylmethyl]-5-hydroxy-pyran-4-one 2-[(3-amino-4-pyridyl)sulfanylme…

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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) 0.14 1.56 -18.04 3 5 0 89 250.279 3 ↓
Mid Mid (pH 6-8) 0.14 2.42 -52.78 2 5 -1 92 249.271 3 ↓

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

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