| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: N-isobutyl-N',N'-dimethyl-N-[[(3R)-3-piperidyl]methyl]ethane-1,2-diamine N-isobutyl-N',N'-dimethyl-N-[[(3…
| 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 | 6.93 | -82.5 | 3 | 3 | 2 | 24 | 243.439 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 5.84 | -98.5 | 3 | 3 | 2 | 24 | 243.439 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 4.43 | -37.84 | 2 | 3 | 1 | 23 | 242.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 8.24 | -184.9 | 4 | 3 | 3 | 25 | 244.447 | 7 | ↓ |
