In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 35 | 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) | 5.92 | 10.41 | -44.41 | 2 | 7 | 1 | 79 | 529.473 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.92 | 10.54 | -44.8 | 2 | 7 | 1 | 79 | 529.473 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.92 | 8.07 | -9.91 | 1 | 7 | 0 | 78 | 528.465 | 6 | ↓ |