| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (3R)-1-[(2-chloro-3-pyridyl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(2-chloro-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) | 1.62 | 5.01 | -38.84 | 1 | 3 | 1 | 21 | 240.758 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 4.85 | -34.88 | 1 | 3 | 1 | 21 | 240.758 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 2.61 | -5.59 | 0 | 3 | 0 | 19 | 239.75 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 7.25 | -107.07 | 2 | 3 | 2 | 22 | 241.766 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
