In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 2.94 | 11.65 | -17.77 | 1 | 7 | 0 | 80 | 455.562 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 12.22 | -36.76 | 2 | 7 | 1 | 81 | 456.57 | 8 | ↓ |