In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 16 | Yes |
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) | 2.92 | 8.85 | -22.97 | 1 | 3 | 1 | 21 | 222.356 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 8.51 | -4.68 | 0 | 3 | 0 | 19 | 221.348 | 6 | ↓ |