In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2006 | 24 | 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) | 4.07 | 9.82 | -9.27 | 1 | 4 | 0 | 47 | 321.424 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.07 | 10.51 | -31.41 | 2 | 4 | 1 | 48 | 322.432 | 6 | ↓ |