In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 4.40 | 12.08 | -61.97 | 1 | 6 | 0 | 74 | 468.981 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.40 | 11.31 | -44.56 | 2 | 6 | 1 | 71 | 469.989 | 9 | ↓ |