In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 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) | 2.53 | 8.69 | -81.94 | 1 | 8 | 0 | 93 | 454.523 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 7.86 | -54.13 | 2 | 8 | 1 | 90 | 455.531 | 10 | ↓ |