| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 18 | No |
Popular Name: (3S)-1-[3-(1,4-dithiepan-6-ylamino)propyl]piperidin-3-ol (3S)-1-[3-(1,4-dithiepan-6-ylami…
| 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) | 1.05 | 4.02 | -36.59 | 3 | 3 | 1 | 37 | 291.506 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 5.25 | -112.81 | 4 | 3 | 2 | 41 | 292.514 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
