| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 15 | Yes |
Popular Name: N',N'-dimethyl-N-[(2S,4S,5R)-1,2,5-trimethyl-4-piperidyl]ethane-1,2-diamine N',N'-dimethyl-N-[(2S,4S,5R)-1,2…
| 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) | 1.35 | 2.32 | -34.43 | 2 | 3 | 1 | 23 | 214.377 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 4.65 | -100.5 | 3 | 3 | 2 | 24 | 215.385 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 3.88 | -30.99 | 2 | 3 | 1 | 20 | 214.377 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 4.79 | -110.25 | 3 | 3 | 2 | 24 | 215.385 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 6.25 | -79.19 | 3 | 3 | 2 | 21 | 215.385 | 4 | ↓ |
