In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 42 | 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) | -5.31 | -0.17 | -246.69 | 17 | 16 | 3 | 297 | 601.774 | 20 | ↓ |
Hi High (pH 8-9.5) | -5.31 | -1.43 | -171.21 | 16 | 16 | 2 | 295 | 600.766 | 20 | ↓ |