| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 16 | Yes |
Popular Name: (2S,3S)-N3-(cyclohexylmethyl)-N2-ethyl-N3-methyl-butane-2,3-diamine (2S,3S)-N3-(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) | 3.45 | 8.68 | -105.07 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 7.1 | -33.45 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 7.63 | -31.09 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
