In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2008 | 27 | 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) | 2.82 | 7.74 | -55.97 | 0 | 5 | -1 | 70 | 386.424 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.87 | -9.17 | 0 | 5 | 0 | 64 | 387.432 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 7.47 | -11.07 | 1 | 5 | 0 | 67 | 387.432 | 5 | ↓ |