| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 23 | Yes |
Popular Name: 1-(2-dimethylaminoethylamino)-6-hydroxy-4-methyl-thioxanthen-9-one 1-(2-dimethylaminoethylamino)-6-…
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| 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) | 4.14 | 6.53 | -97.83 | 4 | 4 | 2 | 59 | 330.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 4.33 | -11.33 | 2 | 4 | 0 | 53 | 328.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 4.01 | -35.76 | 3 | 4 | 1 | 58 | 329.445 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 6.85 | -44.82 | 3 | 4 | 1 | 54 | 329.445 | 4 | ↓ |
