In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 25 | Yes |
Popular Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-phenylphenyl)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) | 3.52 | -5.34 | -14.54 | 5 | 6 | 0 | 106 | 351.435 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | -5.11 | -41.81 | 6 | 6 | 1 | 108 | 352.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | -4.95 | -109.82 | 7 | 6 | 2 | 109 | 353.451 | 5 | ↓ |