| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 14 | Yes |
Popular Name: (2R,3S)-N2-[(1S)-1-cyclopropylethyl]-N2,3-dimethyl-pentane-1,2-diamine (2R,3S)-N2-[(1S)-1-cyclopropylet…
| 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) | 1.96 | 4.13 | -42.39 | 3 | 2 | 1 | 31 | 199.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 5.92 | -114.86 | 4 | 2 | 2 | 32 | 200.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 5.64 | -27.64 | 3 | 2 | 1 | 30 | 199.362 | 6 | ↓ |
