UCSF

ZINC37191919

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(6-amino-3-pyridyl)sulfanylmethyl]-5-hydroxy-pyran-4-one 2-[(6-amino-3-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) 0.56 2.34 -17.8 3 5 0 89 250.279 3 ↓
Mid Mid (pH 6-8) 0.56 3.21 -54 2 5 -1 92 249.271 3 ↓
Lo Low (pH 4.5-6) 0.56 2.81 -49.12 4 5 1 91 251.287 3 ↓

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

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