In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 5.57 | 13.67 | -16.44 | 1 | 5 | 0 | 60 | 515.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.64 | 12.01 | -61.27 | 0 | 5 | -1 | 67 | 514.435 | 6 | ↓ |