In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 39 | 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) | 6.07 | 15.69 | -80.52 | 1 | 7 | 0 | 77 | 535.729 | 16 | ↓ |
Lo Low (pH 4.5-6) | 6.07 | 14.94 | -55.17 | 2 | 7 | 1 | 75 | 536.737 | 16 | ↓ |