| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | No |
Popular Name: 4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzene-1,2-diol 4-[(3-pyrrolidin-1-ylpropylamino…
| 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) | 1.23 | 2.21 | -37.64 | 4 | 4 | 1 | 57 | 251.35 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 1.85 | -74.03 | 3 | 4 | 0 | 63 | 250.342 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 1.05 | -49.56 | 4 | 4 | 1 | 60 | 251.35 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
