| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 18 | Yes |
Popular Name: (2R)-1-[(6-methyl-3-pyridyl)methylamino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[(6-methyl-3-pyridyl)meth…
| 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) | 0.10 | 4.45 | -110.75 | 4 | 4 | 2 | 54 | 251.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 3.03 | -37.69 | 3 | 4 | 1 | 50 | 250.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 1.93 | -46 | 3 | 4 | 1 | 53 | 250.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 4.96 | -46.08 | 3 | 4 | 1 | 57 | 250.366 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 4.89 | -183.16 | 5 | 4 | 3 | 55 | 252.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
