In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2009 | 25 | Yes |
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) | 3.83 | 6.91 | -49.44 | 2 | 5 | -1 | 90 | 351.463 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.83 | 4.93 | -11.05 | 3 | 5 | 0 | 87 | 352.471 | 10 | ↓ |