| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 19 | Yes |
Popular Name: 3-[3-[[methyl(thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-amine 3-[3-[[methyl(thiazol-4-ylmethyl…
| 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) | 1.29 | 6.88 | -91.8 | 4 | 3 | 2 | 45 | 273.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 6.48 | -40.86 | 3 | 3 | 1 | 43 | 272.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 4.13 | -8.36 | 2 | 3 | 0 | 42 | 271.389 | 4 | ↓ |
