In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 33 | 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) | 3.36 | 5.3 | -19.16 | 4 | 8 | 0 | 120 | 487.965 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 5.79 | -52.28 | 5 | 8 | 1 | 121 | 488.973 | 9 | ↓ |