| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | Yes |
Popular Name: (2S,3S)-N2-ethyl-N3-methyl-N3-(3-pyridylmethyl)butane-2,3-diamine (2S,3S)-N2-ethyl-N3-methyl-N3-(3…
| 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) | 1.33 | 6.5 | -111 | 3 | 3 | 2 | 34 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.61 | -38.21 | 2 | 3 | 1 | 33 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 5.45 | -35.74 | 2 | 3 | 1 | 29 | 222.356 | 6 | ↓ |
