| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 18 | Yes |
Popular Name: N-isobutyl-N',N'-dimethyl-N-[2-[(2S)-2-piperidyl]ethyl]ethane-1,2-diamine N-isobutyl-N',N'-dimethyl-N-[2-[…
| 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) | 2.44 | 7.5 | -89.26 | 3 | 3 | 2 | 24 | 257.466 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 8.04 | -109.38 | 3 | 3 | 2 | 21 | 257.466 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.56 | -33.47 | 2 | 3 | 1 | 20 | 256.458 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.23 | -36.45 | 2 | 3 | 1 | 23 | 256.458 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.83 | -107.5 | 3 | 3 | 2 | 24 | 257.466 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 9.11 | -197.35 | 4 | 3 | 3 | 25 | 258.474 | 8 | ↓ |
