| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 15 | Yes |
Popular Name: 1-methyl-4-[(3S,6R)-6-methyl-3-piperidyl]-1,4-diazepane 1-methyl-4-[(3S,6R)-6-methyl-3-p…
| 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) | 1.01 | 2.7 | -29.83 | 2 | 3 | 1 | 20 | 212.361 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 1.75 | -37.06 | 2 | 3 | 1 | 23 | 212.361 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 0.5 | -1.02 | 1 | 3 | 0 | 19 | 211.353 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 3.94 | -83.08 | 3 | 3 | 2 | 24 | 213.369 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
