| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (2S)-N2,2,4-trimethyl-N2-(3-pyridylmethyl)pentane-1,2-diamine (2S)-N2,2,4-trimethyl-N2-(3-pyri…
| 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) | 1.40 | 5.31 | -130.32 | 4 | 3 | 2 | 45 | 237.391 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 3.45 | -49.56 | 3 | 3 | 1 | 44 | 236.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 5.89 | -33.77 | 3 | 3 | 1 | 43 | 236.383 | 6 | ↓ |
