In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2006 | 48 | 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) | 9.66 | 20.24 | -11.83 | 2 | 6 | 0 | 90 | 792.578 | 6 | ↓ |
Hi High (pH 8-9.5) | 9.74 | 18.39 | -48.4 | 1 | 6 | -1 | 94 | 791.57 | 6 | ↓ |
Hi High (pH 8-9.5) | 9.82 | 16.52 | -100.44 | 0 | 6 | -2 | 97 | 790.562 | 6 | ↓ |