In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 30 | 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) | 3.06 | 11.34 | -56.38 | 2 | 7 | 1 | 77 | 408.526 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 9.45 | -12.33 | 1 | 7 | 0 | 76 | 407.518 | 6 | ↓ |