| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 15 | Yes |
Popular Name: (3S,4S)-3-[(2S)-2-methylazepan-1-yl]tetrahydropyran-4-amine (3S,4S)-3-[(2S)-2-methylazepan-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) | 1.05 | 1.46 | -42.75 | 3 | 3 | 1 | 40 | 213.345 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.68 | -1.48 | 2 | 3 | 0 | 38 | 212.337 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 3.8 | -115.62 | 4 | 3 | 2 | 41 | 214.353 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 3.66 | -27.85 | 3 | 3 | 1 | 40 | 213.345 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
