In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 3.74 | 9.32 | -15.79 | 3 | 9 | 0 | 120 | 448.527 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 9.7 | -38.06 | 4 | 9 | 1 | 122 | 449.535 | 7 | ↓ |