| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | No |
Popular Name: 4-[(2-pyrrolidin-1-ylethylamino)methyl]benzene-1,2-diol 4-[(2-pyrrolidin-1-ylethylamino)…
| 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) | 0.96 | 2.79 | -122.54 | 5 | 4 | 2 | 61 | 238.331 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 1.05 | -73.03 | 3 | 4 | 0 | 63 | 236.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 1.21 | -54.17 | 3 | 4 | 0 | 63 | 236.315 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 1.38 | -41.33 | 4 | 4 | 1 | 57 | 237.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
