| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 20 | Yes |
Popular Name: 3-[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine 3-[4-[[methyl-[(2-methylthiazol-…
| 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) | 1.03 | 7.61 | -91.44 | 4 | 3 | 2 | 45 | 287.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 4.83 | -7.95 | 2 | 3 | 0 | 42 | 285.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 7.2 | -41.81 | 3 | 3 | 1 | 43 | 286.424 | 4 | ↓ |
