In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 15 | No |
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) | 1.39 | 2.89 | -10.04 | 2 | 4 | 0 | 75 | 206.197 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 3.88 | -48.04 | 1 | 4 | -1 | 77 | 205.189 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 3.88 | -46.05 | 1 | 4 | -1 | 77 | 205.189 | 0 | ↓ |