In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2010 | 29 | No |
None
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) | 6.51 | 10.78 | -45.41 | 4 | 5 | 1 | 75 | 415.683 | 24 | ↓ |
Hi High (pH 8-9.5) | 6.51 | 10.33 | -10.39 | 3 | 5 | 0 | 74 | 414.675 | 24 | ↓ |