| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | Yes |
Popular Name: (2S,3S)-N2-ethyl-N3-methyl-N3-(4-pyridylmethyl)butane-2,3-diamine (2S,3S)-N2-ethyl-N3-methyl-N3-(4…
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| 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) | 1.27 | 6.52 | -113.3 | 3 | 3 | 2 | 34 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.58 | -3.12 | 1 | 3 | 0 | 28 | 221.348 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 5.46 | -37.12 | 2 | 3 | 1 | 29 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 4.63 | -38.94 | 2 | 3 | 1 | 33 | 222.356 | 6 | ↓ |
