| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (2S,3R)-N2-(cyclohexylmethyl)-N3-ethyl-N2-methyl-pentane-2,3-diamine (2S,3R)-N2-(cyclohexylmethyl)-N3…
| 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) | 3.99 | 9.39 | -109.43 | 3 | 2 | 2 | 21 | 242.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 7.55 | -33.21 | 2 | 2 | 1 | 20 | 241.443 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 8.15 | -31.25 | 2 | 2 | 1 | 16 | 241.443 | 7 | ↓ |
