| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 24 | No |
Popular Name: [1-[[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidyl]methyl]triazol-4-yl]methylurea [1-[[(3S)-1-(1,4-dithiepan-6-yl)…
| 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) | 0.63 | 4.11 | -59.11 | 4 | 7 | 1 | 90 | 371.556 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 1.83 | -18.83 | 3 | 7 | 0 | 89 | 370.548 | 5 | ↓ |
