| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 24 | Yes |
Popular Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(1-naphthyl)propionamide (2S)-2-[(4,6-diaminopyrimidin-2-…
| 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) | 3.25 | -4.85 | -13.54 | 5 | 6 | 0 | 106 | 339.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -4.53 | -106.35 | 7 | 6 | 2 | 109 | 341.44 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -4.68 | -39.07 | 6 | 6 | 1 | 108 | 340.432 | 4 | ↓ |
