UCSF

ZINC37192716

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-5-hydroxy-pyran-4-one 2-[(2-amino-4-methyl-phenyl)sulf…

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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) 1.66 4.01 -16.12 3 4 0 76 263.318 3 ↓
Mid Mid (pH 6-8) 1.66 4.87 -52.43 2 4 -1 79 262.31 3 ↓

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

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