| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(1S)-1,2,2-trimethylpropyl]cycloheptane-1,2-diamine (1R,2S)-N1-methyl-N1-[(1S)-1,2,2…
| 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) | 3.14 | 6.42 | -111.65 | 4 | 2 | 2 | 32 | 228.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 4.89 | -38.36 | 3 | 2 | 1 | 31 | 227.416 | 3 | ↓ |
