| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1R,2R,5R)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-5-propyl-cyclohexanamine (1R,2R,5R)-2-(aminomethyl)-N-(cy…
| 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) | 3.21 | 8.38 | -112.25 | 4 | 2 | 2 | 32 | 254.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.55 | -43.17 | 3 | 2 | 1 | 31 | 253.454 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 8.01 | -33.48 | 3 | 2 | 1 | 30 | 253.454 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
