In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 39 | 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) | 4.97 | 16.39 | -80.91 | 3 | 6 | 2 | 58 | 532.773 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.16 | 13.8 | -53.37 | 2 | 6 | 1 | 65 | 531.765 | 10 | ↓ |