In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 36 | 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) | -1.61 | 15.92 | -81.62 | 0 | 4 | 2 | 6 | 535.648 | 14 | ↓ |
Lo Low (pH 4.5-6) | -1.61 | 18.21 | -190.17 | 1 | 4 | 3 | 8 | 536.656 | 14 | ↓ |