In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 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) | 2.77 | 12.3 | -11.39 | 0 | 8 | 0 | 71 | 417.517 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.77 | 12.63 | -33.98 | 1 | 8 | 1 | 72 | 418.525 | 5 | ↓ |