In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 1.97 | 9.22 | -75.35 | 1 | 9 | 0 | 102 | 494.544 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 8.48 | -58.22 | 2 | 9 | 1 | 99 | 495.552 | 8 | ↓ |