In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 24 | 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) | 2.58 | 8.32 | -45.77 | 2 | 4 | 1 | 46 | 345.488 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.84 | -11.06 | 1 | 4 | 0 | 42 | 344.48 | 6 | ↓ |