| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (3S,4S)-3-[(4S)-4-ethylazepan-1-yl]tetrahydropyran-4-amine (3S,4S)-3-[(4S)-4-ethylazepan-1-…
| 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) | 1.41 | 3.22 | -42.44 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 2.82 | -1.17 | 2 | 3 | 0 | 38 | 226.364 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.56 | -31.3 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 4.43 | -119.93 | 4 | 3 | 2 | 41 | 228.38 | 2 | ↓ |
