In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | 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) | 4.39 | 13.43 | -83.04 | 1 | 6 | 0 | 74 | 450.579 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.39 | 12.69 | -53.24 | 2 | 6 | 1 | 71 | 451.587 | 9 | ↓ |