| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 15 | Yes |
Popular Name: (2S,3R)-N2-(2-dimethylaminoethyl)-N3-methyl-N2-propyl-butane-2,3-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) | 1.70 | 4.49 | -102.05 | 3 | 3 | 2 | 24 | 217.401 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 2.17 | -36.84 | 2 | 3 | 1 | 23 | 216.393 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 1.14 | -0.76 | 1 | 3 | 0 | 19 | 215.385 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 4.64 | -90.29 | 3 | 3 | 2 | 24 | 217.401 | 8 | ↓ |
