In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 33 | 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) | 2.84 | 6.09 | -57.79 | 2 | 8 | 1 | 105 | 498.622 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 4.94 | -22.97 | 1 | 8 | 0 | 104 | 497.614 | 9 | ↓ |