| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 15 | Yes |
Popular Name: [(3S)-3-[(2S)-2-methylazepan-1-yl]tetrahydrofuran-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) | 1.06 | 1.3 | -43.89 | 3 | 3 | 1 | 40 | 213.345 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.07 | -2.19 | 2 | 3 | 0 | 38 | 212.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 3.2 | -113.83 | 4 | 3 | 2 | 41 | 214.353 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 2.96 | -29.76 | 3 | 3 | 1 | 40 | 213.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
