In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 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) | 3.87 | 8.66 | -25.77 | 2 | 8 | 0 | 101 | 515.463 | 13 | ↓ |
Hi High (pH 8-9.5) | 3.68 | 7.32 | -53.78 | 1 | 8 | -1 | 107 | 514.455 | 13 | ↓ |