| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 17 | Yes |
Popular Name: (2S)-N1-isopropyl-N2-methyl-N2-(4-pyridylmethyl)butane-1,2-diamine (2S)-N1-isopropyl-N2-methyl-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) | 1.78 | 5.3 | -36.89 | 2 | 3 | 1 | 33 | 236.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 5.85 | -36.96 | 2 | 3 | 1 | 29 | 236.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.16 | -2.82 | 1 | 3 | 0 | 28 | 235.375 | 7 | ↓ |
