In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: 3-[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol 3-[4-[[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) | 1.88 | 5.87 | -44.77 | 2 | 3 | 1 | 38 | 273.381 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 3.53 | -10.61 | 1 | 3 | 0 | 36 | 272.373 | 4 | ↓ |