| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | Yes |
Popular Name: 2-methoxy-5-[(2-pyrrolidin-1-ylethylamino)methyl]phenol 2-methoxy-5-[(2-pyrrolidin-1-yle…
| 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) | 1.27 | 2.22 | -50.08 | 3 | 4 | 1 | 49 | 251.35 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.17 | -61.25 | 2 | 4 | 0 | 52 | 250.342 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.34 | -41.71 | 3 | 4 | 1 | 46 | 251.35 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 4.76 | -128.24 | 4 | 4 | 2 | 51 | 252.358 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
