In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 21 | Yes |
Popular Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide 2-[(4,6-diaminopyrimidin-2-yl)th…
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) | 2.55 | -5.23 | -13.2 | 5 | 6 | 0 | 106 | 303.391 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | -4.84 | -107.16 | 7 | 6 | 2 | 109 | 305.407 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | -5.03 | -33.01 | 6 | 6 | 1 | 108 | 304.399 | 4 | ↓ |