| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: (2S,3R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-3-methyl-pentane-1,2-diamine (2S,3R)-N2-(2-dimethylaminoethyl…
| 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) | 1.91 | 5.93 | -106.9 | 4 | 3 | 2 | 35 | 245.455 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 7.38 | -99.06 | 4 | 3 | 2 | 35 | 245.455 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 3.35 | -41.65 | 3 | 3 | 1 | 34 | 244.447 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.99 | -219.2 | 5 | 3 | 3 | 37 | 246.463 | 9 | ↓ |
