In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2008 | 38 | 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) | 7.77 | 14.92 | -13.69 | 1 | 6 | 0 | 73 | 523.658 | 6 | ↓ |
Hi High (pH 8-9.5) | 7.95 | 14.67 | -52.66 | 0 | 6 | -1 | 79 | 522.65 | 6 | ↓ |