In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 37 | 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) | 6.98 | 14.85 | -17.68 | 2 | 5 | 0 | 75 | 531.747 | 7 | ↓ |
Hi High (pH 8-9.5) | 7.43 | 13.62 | -49.04 | 1 | 5 | -1 | 78 | 530.739 | 7 | ↓ |