In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 42 | 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) | 4.26 | 10.26 | -138.18 | 4 | 11 | 1 | 152 | 613.786 | 13 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 8.97 | -93.43 | 3 | 11 | 0 | 147 | 612.778 | 13 | ↓ |