| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 14 | Yes |
Popular Name: 3-[[(1S,2S)-2-aminocycloheptyl]-methyl-amino]propanenitrile 3-[[(1S,2S)-2-aminocycloheptyl]-…
| 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) | 0.57 | 3.16 | -47.26 | 3 | 3 | 1 | 55 | 196.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 4.95 | -136.55 | 4 | 3 | 2 | 56 | 197.326 | 3 | ↓ |
