| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 15 | Yes |
Popular Name: (2S,3R)-N2-isopropyl-N3-methyl-N2-pentyl-butane-2,3-diamine (2S,3R)-N2-isopropyl-N3-methyl-N…
| 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) | 3.40 | 7.67 | -100.18 | 3 | 2 | 2 | 21 | 216.413 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 6.67 | -27.79 | 2 | 2 | 1 | 16 | 215.405 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 5.99 | -34.46 | 2 | 2 | 1 | 20 | 215.405 | 8 | ↓ |
