| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S,4R)-N3-(2-dimethylaminoethyl)-N3-propyl-heptane-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) | 2.42 | 5.82 | -96.1 | 4 | 3 | 2 | 35 | 245.455 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 3.34 | -42.52 | 3 | 3 | 1 | 34 | 244.447 | 10 | ↓ |
