| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 16 | Yes |
Popular Name: (2S,3R)-N2-(cyclohexylmethyl)-N2,N3-dimethyl-pentane-2,3-diamine (2S,3R)-N2-(cyclohexylmethyl)-N2…
| 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) | 3.61 | 8.54 | -110.24 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.21 | -32.6 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 7.01 | -32.68 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
