In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 38 | 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) | 3.25 | 11.45 | -82.11 | 4 | 8 | 2 | 87 | 535.68 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 9.09 | -49.14 | 3 | 8 | 1 | 94 | 534.672 | 10 | ↓ |