| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-N'-(3-methoxypropyl)-N,N'-dimethyl-ethane-1,2-diamine (1S)-1-(1-adamantyl)-N'-(3-metho…
| 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) | 3.31 | 8.76 | -122.26 | 3 | 3 | 2 | 30 | 296.499 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 8.26 | -35.88 | 2 | 3 | 1 | 26 | 295.491 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.71 | -42.45 | 2 | 3 | 1 | 29 | 295.491 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
