| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S,4R)-N3-(2-dimethylaminoethyl)-2,2-dimethyl-N3-propyl-hexane-3,4-diamine (3S,4R)-N3-(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) | 2.68 | 5.72 | -92.41 | 4 | 3 | 2 | 35 | 259.482 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 3.25 | -39.38 | 3 | 3 | 1 | 34 | 258.474 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 7.34 | -198.24 | 5 | 3 | 3 | 37 | 260.49 | 9 | ↓ |
