In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2008 | 28 | 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) | -3.28 | 0.5 | -110.46 | 4 | 13 | -2 | 216 | 435.44 | 10 | ↓ |
Hi High (pH 8-9.5) | -3.28 | 0.3 | -200.88 | 3 | 13 | -3 | 218 | 434.432 | 10 | ↓ |