| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 17 | Yes |
Popular Name: (3S)-N-ethyl-N-[(6-methoxy-2-pyridyl)methyl]pyrrolidin-3-amine (3S)-N-ethyl-N-[(6-methoxy-2-pyr…
| 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) | 1.25 | 2.61 | -33.99 | 2 | 4 | 1 | 39 | 236.339 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 0.61 | -4.2 | 1 | 4 | 0 | 37 | 235.331 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 2.04 | -44.73 | 2 | 4 | 1 | 42 | 236.339 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 4.02 | -111.15 | 3 | 4 | 2 | 43 | 237.347 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
