| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | Yes |
Popular Name: (3S,4R)-N3-(2-dimethylaminoethyl)-N3-isobutyl-2,2-dimethyl-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) | 2.93 | 7.36 | -98.04 | 4 | 3 | 2 | 35 | 273.509 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 4.89 | -40.4 | 3 | 3 | 1 | 34 | 272.501 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 8.05 | -198.61 | 5 | 3 | 3 | 37 | 274.517 | 9 | ↓ |
