| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 15 | Yes |
Popular Name: (2S)-2-methyl-1-[(3S,6S)-6-methyl-3-piperidyl]azepane (2S)-2-methyl-1-[(3S,6S)-6-methy…
| 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) | 2.59 | 6.64 | -103.64 | 3 | 2 | 2 | 21 | 212.381 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 3.67 | -0.3 | 1 | 2 | 0 | 15 | 210.365 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 4.94 | -35.38 | 2 | 2 | 1 | 20 | 211.373 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 5.37 | -28.91 | 2 | 2 | 1 | 16 | 211.373 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
