In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 26 | 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) | 2.22 | 6.29 | -51.07 | 3 | 6 | 1 | 80 | 380.534 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 3.61 | -48.45 | 2 | 6 | 0 | 83 | 379.526 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 4.42 | -14.9 | 2 | 6 | 0 | 78 | 379.526 | 8 | ↓ |