| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (2R,3S)-N2,N3-diethyl-N3-(4-pyridylmethyl)butane-2,3-diamine (2R,3S)-N2,N3-diethyl-N3-(4-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) | 1.65 | 6.93 | -112.91 | 3 | 3 | 2 | 34 | 237.391 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 5.46 | -40.4 | 2 | 3 | 1 | 33 | 236.383 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.76 | -36.27 | 2 | 3 | 1 | 29 | 236.383 | 7 | ↓ |
