In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 2.34 | 5.9 | -69.37 | 1 | 9 | -1 | 118 | 496.536 | 14 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 5.14 | -22.54 | 2 | 9 | 0 | 115 | 497.544 | 14 | ↓ |