| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | No |
Popular Name: [(3S)-3-[(2S)-2-methylazepan-1-yl]tetrahydrothiopyran-3-yl]methanamine [(3S)-3-[(2S)-2-methylazepan-1-y…
| 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) | 1.88 | 4.03 | -38.21 | 3 | 2 | 1 | 31 | 243.44 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 3.41 | -1.39 | 2 | 2 | 0 | 29 | 242.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 5.37 | -29.26 | 3 | 2 | 1 | 30 | 243.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 5.77 | -112.7 | 4 | 2 | 2 | 32 | 244.448 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
