In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2009 | 29 | 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) | 2.75 | 11.24 | -62.19 | 0 | 5 | -1 | 91 | 399.507 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 9.27 | -22.41 | 1 | 5 | 0 | 89 | 400.515 | 4 | ↓ |