| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 20 | Yes |
Popular Name: 2-[(1S,2R)-2-amino-1-(4-chlorophenyl)propyl]sulfanyl-6-methyl-1H-pyrimidin-4-one 2-[(1S,2R)-2-amino-1-(4-chloroph…
| 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) | 3.30 | 3.37 | -45.4 | 2 | 4 | -1 | 75 | 308.814 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 3.63 | -64.42 | 3 | 4 | 0 | 76 | 309.822 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 5.08 | -9.15 | 3 | 4 | 0 | 72 | 309.822 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 5.4 | -58.3 | 4 | 4 | 1 | 73 | 310.83 | 4 | ↓ |
