In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 23 | Yes |
Popular Name: (1S)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-phenyl-ethanamine (1S)-2-[4-(1,3-benzodioxol-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) | 1.46 | 6.61 | -46.06 | 3 | 4 | 1 | 59 | 325.413 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 6.23 | -7.14 | 2 | 4 | 0 | 57 | 324.405 | 4 | ↓ |