In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2007 | 34 | 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 | -4.24 | -23.22 | 2 | 8 | 0 | 106 | 478.526 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.87 | -3.67 | -58.09 | 1 | 8 | -1 | 108 | 477.518 | 6 | ↓ |