| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 21 | Yes |
Popular Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]benzoic 4-[(3-bromo-4-hydroxy-5-methoxy-…
| 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) | 3.41 | 5.43 | -53.76 | 2 | 5 | -1 | 82 | 351.176 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.35 | -95.66 | 1 | 5 | -2 | 84 | 350.168 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 3.46 | -10.84 | 3 | 5 | 0 | 79 | 352.184 | 5 | ↓ |
