| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 19 | No |
Popular Name: N-[(1R)-3-methyl-1-(3-pyridyl)butyl]-1,4-dithiepan-6-amine N-[(1R)-3-methyl-1-(3-pyridyl)bu…
| 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) | 2.09 | 8.35 | -43.24 | 2 | 2 | 1 | 29 | 297.513 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 7.36 | -4.41 | 1 | 2 | 0 | 25 | 296.505 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | 8.83 | -105.37 | 3 | 2 | 2 | 31 | 298.521 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
