| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: (1S,2R)-2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]cycloheptanamine (1S,2R)-2-[(2S,6R)-2,6-dimethylt…
| 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) | 2.22 | 6.86 | -34.37 | 3 | 2 | 1 | 30 | 243.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 5.16 | -43.93 | 3 | 2 | 1 | 31 | 243.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 4.85 | -1.61 | 2 | 2 | 0 | 29 | 242.432 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 6.39 | -126.12 | 4 | 2 | 2 | 32 | 244.448 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
