| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | Yes |
Popular Name: [4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2R)-2-ethylpyrrolidin-1-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) | 1.09 | 4.12 | -90.69 | 4 | 3 | 2 | 45 | 227.377 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 1.81 | -4.29 | 2 | 3 | 0 | 42 | 225.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 3.71 | -29.1 | 3 | 3 | 1 | 43 | 226.369 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
