| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (7S,8S)-N7-(2-dimethylaminoethyl)-N8-methyl-N7-propyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-(2-dimethylaminoethyl…
| 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) | 1.56 | 3.26 | -32.54 | 2 | 5 | 1 | 38 | 300.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 2.84 | -37.82 | 2 | 5 | 1 | 42 | 300.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 1.54 | -2.72 | 1 | 5 | 0 | 37 | 299.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.02 | -37.33 | 2 | 5 | 1 | 38 | 300.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 5.75 | -110.38 | 3 | 5 | 2 | 39 | 301.475 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 6.98 | -213.41 | 4 | 5 | 3 | 44 | 302.483 | 7 | ↓ |
