In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 31 | 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) | 3.18 | 9.31 | -50.42 | 0 | 7 | -1 | 88 | 424.473 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 8.22 | -13.66 | 1 | 7 | 0 | 85 | 425.481 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 8.54 | -13.55 | 0 | 7 | 0 | 82 | 425.481 | 9 | ↓ |