In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 5.13 | 11.16 | -21.06 | 2 | 6 | 0 | 84 | 480.952 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.32 | 10.09 | -45.64 | 1 | 6 | -1 | 90 | 479.944 | 7 | ↓ |