In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 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) | 5.11 | 10.97 | -73.54 | 2 | 7 | 0 | 94 | 494.632 | 14 | ↓ |
Lo Low (pH 4.5-6) | 5.11 | 10.18 | -48.77 | 3 | 7 | 1 | 92 | 495.64 | 14 | ↓ |