In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 35 | 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) | 4.18 | 12.12 | -72.33 | 1 | 7 | 0 | 83 | 478.589 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 9.81 | -60.33 | 0 | 7 | -1 | 82 | 477.581 | 9 | ↓ |