| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-yl…
| 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) | 1.04 | 3.78 | -126.5 | 4 | 4 | 2 | 55 | 271.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 2.41 | -42.17 | 3 | 4 | 1 | 51 | 270.422 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 1.22 | -5.95 | 2 | 4 | 0 | 46 | 269.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 2.59 | -40.81 | 3 | 4 | 1 | 51 | 270.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
