| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 16 | Yes |
Popular Name: N-isobutyl-N',N'-dimethyl-N-[(3S)-3-piperidyl]ethane-1,2-diamine N-isobutyl-N',N'-dimethyl-N-[(3S…
| 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) | 1.32 | 5.49 | -91.96 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.13 | -33.83 | 2 | 3 | 1 | 20 | 228.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 3.01 | -37.59 | 2 | 3 | 1 | 23 | 228.404 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 5.9 | -105.08 | 3 | 3 | 2 | 21 | 229.412 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.24 | -201.28 | 4 | 3 | 3 | 25 | 230.42 | 6 | ↓ |
