| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 24 | Yes |
Popular Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one 1-(2-dimethylaminoethylamino)-7-…
| 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) | 3.03 | 3.3 | -93.54 | 5 | 5 | 2 | 79 | 346.452 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 1.09 | -15.08 | 3 | 5 | 0 | 73 | 344.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 0.77 | -33.78 | 4 | 5 | 1 | 78 | 345.444 | 4 | ↓ |
