In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 28 | 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) | 2.49 | 1.96 | -64.4 | 2 | 8 | -1 | 120 | 424.886 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 3.91 | -22.5 | 3 | 8 | 0 | 114 | 425.894 | 7 | ↓ |