UCSF

ZINC20483792

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 Yes

Popular Name: 2-(2-amino-4-bromo-phenyl)sulfanylpyrimidin-4-ol 2-(2-amino-4-bromo-phenyl)sulfan…

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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) 2.13 2.28 -13.81 3 4 0 72 298.165 2 ↓
Mid Mid (pH 6-8) 2.13 2.79 -21.26 3 4 0 72 298.165 2 ↓
Mid Mid (pH 6-8) 2.59 1.22 -43.08 2 4 -1 75 297.157 2 ↓

Activity (Go SEA)

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