| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: (3S)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-[4-(chloromethyl)thiaz…
| 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) | 1.77 | 5.44 | -37.13 | 1 | 3 | 1 | 21 | 274.841 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 3.06 | -4.91 | 0 | 3 | 0 | 19 | 273.833 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 7.81 | -109.57 | 2 | 3 | 2 | 22 | 275.849 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
