In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 24 | 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) | -0.11 | 4.21 | -26.34 | 4 | 11 | 0 | 162 | 328.292 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 2.47 | -58.51 | 3 | 11 | -1 | 168 | 327.284 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.11 | 3.73 | -45.67 | 3 | 11 | -1 | 160 | 327.284 | 5 | ↓ |