| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-cycloheptanamine (1S,2R)-2-[[cyclopropylmethyl(et…
| 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) | 3.65 | 9.36 | -106.91 | 3 | 2 | 2 | 21 | 240.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.38 | -37.13 | 2 | 2 | 1 | 20 | 239.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 8.04 | -32.6 | 2 | 2 | 1 | 16 | 239.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
