| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: 2-[(3S,6S)-6-methyl-3-piperidyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(3S,6S)-6-methyl-3-piperidyl]…
| 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) | 2.76 | 7.34 | -33.13 | 2 | 2 | 1 | 16 | 245.39 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 8.62 | -111.24 | 3 | 2 | 2 | 21 | 246.398 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 6.48 | -38.64 | 2 | 2 | 1 | 20 | 245.39 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
