UCSF

ZINC20483800

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Substance Information

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

Popular Name: 2-(2-amino-4-chloro-phenyl)sulfanylpyrimidin-4-ol 2-(2-amino-4-chloro-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) 2.00 2.16 -13.87 3 4 0 72 253.714 2 ↓
Mid Mid (pH 6-8) 2.46 1.11 -43.17 2 4 -1 75 252.706 2 ↓
Lo Low (pH 4.5-6) 2.00 2.69 -21.3 3 4 0 72 253.714 2 ↓

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