In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 22 | 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) | 2.99 | 7.61 | -22.89 | 1 | 5 | 0 | 75 | 380.629 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 6.58 | -34.09 | 0 | 5 | -1 | 81 | 379.621 | 2 | ↓ |