| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 42 | No |
Popular Name: [4-[(2,5-dimethylanilino)-methyl-phenyl-BLAHyl]phenyl]-dimethyl-amine [4-[(2,5-dimethylanilino)-methyl…
| 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) | 8.11 | 20.09 | -14.72 | 1 | 7 | 0 | 63 | 551.698 | 5 | ↓ |
| Hi High (pH 8-9.5) | 8.11 | 19.4 | -53.09 | 0 | 7 | -1 | 65 | 550.69 | 5 | ↓ |
| Mid Mid (pH 6-8) | 8.11 | 20.52 | -26.89 | 2 | 7 | 1 | 65 | 552.706 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 8.11 | 21.28 | -55.84 | 3 | 7 | 0 | 66 | 553.714 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
