| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: 2-[(1S,2R)-2-amino-1-phenyl-propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one 2-[(1S,2R)-2-amino-1-phenyl-prop…
| 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) | 3.69 | 4.41 | -47.53 | 2 | 4 | -1 | 75 | 302.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 5.01 | -48.08 | 3 | 4 | 0 | 76 | 303.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 5.97 | -7.6 | 3 | 4 | 0 | 72 | 303.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.29 | -53.88 | 4 | 4 | 1 | 73 | 304.439 | 6 | ↓ |
