| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[[2-(aminomethyl)-3-pyridyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[2-(aminomethyl)-3-pyrid…
| 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) | 0.24 | 3.44 | -96.24 | 4 | 4 | 2 | 48 | 236.363 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 2.37 | -33.17 | 3 | 4 | 1 | 47 | 235.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 0.56 | -4.66 | 2 | 4 | 0 | 45 | 234.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 1.05 | -37.8 | 3 | 4 | 1 | 47 | 235.355 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 4.8 | -205.19 | 5 | 4 | 3 | 49 | 237.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
