In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1S)-2-(1,3-benzothiazol-2-yl)-1-(benzothiophen-3-yl)ethanamine (1S)-2-(1,3-benzothiazol-2-yl)-1…
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) | 2.29 | 8.01 | -44.93 | 3 | 2 | 1 | 41 | 311.455 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 7.66 | -7.45 | 2 | 2 | 0 | 39 | 310.447 | 3 | ↓ |