In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 33 | 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) | 2.83 | 6.7 | -26.55 | 2 | 9 | 0 | 115 | 473.53 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 6.78 | -55.46 | 1 | 9 | -1 | 117 | 472.522 | 6 | ↓ |