In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-N-isobutyl-N'-isopropyl-ethane-1,2-diamine N-(2-dimethylaminoethyl)-N-isobu…
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) | 1.95 | 5.44 | -108.61 | 3 | 3 | 2 | 24 | 231.428 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 5.3 | -33.94 | 2 | 3 | 1 | 20 | 230.42 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 4.03 | -35.55 | 2 | 3 | 1 | 23 | 230.42 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 6.32 | -89.78 | 3 | 3 | 2 | 24 | 231.428 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 7.9 | -201.04 | 4 | 3 | 3 | 25 | 232.436 | 9 | ↓ |