In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2009 | 36 | 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) | 5.16 | 11.59 | -13.93 | 1 | 7 | 0 | 80 | 503.624 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 12.55 | -40.92 | 2 | 7 | 1 | 80 | 504.632 | 10 | ↓ |