In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 21st, 2012 | 25 | 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) | 5.05 | 11.65 | -56.95 | 1 | 5 | -1 | 78 | 368.881 | 14 | ↓ |
Lo Low (pH 4.5-6) | 5.05 | 9.67 | -18.77 | 2 | 5 | 0 | 76 | 369.889 | 14 | ↓ |