| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 26 | Yes |
Popular Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methyl-thioxanthen-9-one 1-(2-diethylaminoethylamino)-4-(…
| 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) | 4.66 | 8.12 | -94.11 | 4 | 4 | 2 | 59 | 372.534 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 6.58 | -10.14 | 2 | 4 | 0 | 53 | 370.518 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 5.8 | -32.78 | 3 | 4 | 1 | 58 | 371.526 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 8.89 | -38.12 | 3 | 4 | 1 | 54 | 371.526 | 7 | ↓ |
