In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | 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) | 5.78 | 7.9 | -3.93 | 2 | 2 | 0 | 32 | 334.257 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.78 | 8.66 | -37.34 | 1 | 2 | -1 | 35 | 333.249 | 6 | ↓ |