| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (1S,2R)-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]cycloheptanamine (1S,2R)-2-[(4-ethyl-4-methyl-1-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) | 3.39 | 7.89 | -118.38 | 4 | 2 | 2 | 32 | 254.462 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.95 | -43.31 | 3 | 2 | 1 | 31 | 253.454 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 7.61 | -32.86 | 3 | 2 | 1 | 30 | 253.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
