In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 5.00 | 11.77 | -21.52 | 3 | 8 | 0 | 99 | 493.543 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 12.77 | -33.79 | 4 | 8 | 1 | 104 | 494.551 | 6 | ↓ |