In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 34 | 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 | 9.51 | -26.71 | 2 | 6 | 0 | 101 | 476.585 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 10.26 | -29.66 | 1 | 6 | 0 | 104 | 475.577 | 7 | ↓ |