In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 33 | 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) | 4.86 | 13.21 | -11.9 | 1 | 6 | 0 | 72 | 479.989 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.40 | 12.13 | -42.67 | 0 | 6 | -1 | 74 | 478.981 | 9 | ↓ |