In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 33 | No |
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) | 2.48 | 9.12 | -69.68 | 2 | 8 | 0 | 102 | 448.523 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 8.36 | -51.85 | 3 | 8 | 1 | 100 | 449.531 | 8 | ↓ |