In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2008 | 31 | Yes |
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) | 1.83 | 8.37 | -21.98 | 4 | 9 | 0 | 128 | 416.441 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 8.15 | -48.86 | 5 | 9 | 1 | 132 | 417.449 | 5 | ↓ |