In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 27 | 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) | 5.53 | 10.9 | -127.46 | 0 | 5 | -2 | 84 | 396.855 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.53 | 11.59 | -76.3 | 1 | 5 | -1 | 82 | 397.863 | 5 | ↓ |