| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: 2-[(2S)-2-hydroxy-3-(propylamino)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one 2-[(2S)-2-hydroxy-3-(propylamino…
| 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) | 2.12 | 3.16 | -52.13 | 4 | 5 | 1 | 83 | 286.421 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | -0.16 | -45.27 | 2 | 5 | -1 | 81 | 284.405 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 1.75 | -9.07 | 3 | 5 | 0 | 78 | 285.413 | 9 | ↓ |
