In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 26 | Yes |
None
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) | 2.28 | 7.07 | -16.36 | 1 | 6 | 0 | 79 | 377.51 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 6.15 | -45.91 | 0 | 6 | -1 | 81 | 376.502 | 8 | ↓ |