UCSF

ZINC37205218

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-bromo-phenyl)sulfanylmethyl]-5-hydroxy-pyran-4-one 2-[(2-amino-4-bromo-phenyl)sulfa…

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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) 2.02 3.97 -16.36 3 4 0 76 328.187 3 ↓
Mid Mid (pH 6-8) 2.02 4.83 -51.42 2 4 -1 79 327.179 3 ↓

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

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