| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 30 | No |
Popular Name: (3,4-dihydroxyphenyl)-hydroxy-isopropyl-methyl-BLAHone (3,4-dihydroxyphenyl)-hydroxy-is…
None
| 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) | 4.48 | 0.15 | -13.57 | 4 | 8 | 0 | 125 | 405.41 | 2 | ↓ |
| Ref Reference (pH 7) | 4.03 | 2.72 | -15.89 | 4 | 8 | 0 | 125 | 405.41 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 0.91 | -45.36 | 3 | 8 | -1 | 128 | 404.402 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 3.16 | -38.6 | 5 | 8 | 1 | 126 | 406.418 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.