In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 32 | 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) | 4.09 | 10.38 | -13.25 | 2 | 9 | 0 | 103 | 499.369 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 10.53 | -37.93 | 3 | 9 | 1 | 108 | 500.377 | 5 | ↓ |