| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 27 | No |
Popular Name: (3-hydroxy-4-methoxy-phenyl)-dioxo-thioxo-BLAHcarboxamide (3-hydroxy-4-methoxy-phenyl)-dio…
| 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) | 1.28 | 2.65 | -44.33 | 3 | 8 | -1 | 123 | 422.489 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.27 | -89.58 | 2 | 8 | -2 | 127 | 421.481 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.3 | -104.01 | 2 | 8 | -2 | 127 | 421.481 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.38 | -104.46 | 2 | 8 | -2 | 127 | 421.481 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.18 | -89.17 | 2 | 8 | -2 | 127 | 421.481 | 3 | ↓ |
