In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 19 | 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) | 4.17 | 11.71 | -93.28 | 0 | 4 | -2 | 80 | 270.369 | 13 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 9.73 | -48.18 | 1 | 4 | -1 | 77 | 271.377 | 13 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 9.74 | -48.51 | 1 | 4 | -1 | 77 | 271.377 | 13 | ↓ |