| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (2S,3S)-N3-ethyl-N2-propyl-N3-(4-pyridylmethyl)butane-2,3-diamine (2S,3S)-N3-ethyl-N2-propyl-N3-(4…
| 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) | 2.15 | 7.25 | -112.49 | 3 | 3 | 2 | 34 | 251.418 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 5.99 | -41.33 | 2 | 3 | 1 | 33 | 250.41 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 6.19 | -35.34 | 2 | 3 | 1 | 29 | 250.41 | 8 | ↓ |
