| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 5-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl-[[(2S)-tetrahydropyran…
| 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) | 1.63 | 9.4 | -10.06 | 1 | 5 | 0 | 46 | 270.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 8.81 | -44.14 | 1 | 5 | 0 | 44 | 270.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 9.52 | -45.67 | 0 | 5 | -1 | 43 | 269.394 | 5 | ↓ |
