| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
Popular Name: [(1R)-3-(dimethylamino)-1-methyl-propyl]-sulfanyl-BLAHone [(1R)-3-(dimethylamino)-1-methyl…
| 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) | 2.12 | 10.12 | -35.11 | 2 | 4 | 1 | 42 | 324.495 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 8.97 | -38.41 | 1 | 4 | 0 | 45 | 323.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
