In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 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) | 1.64 | 4.56 | -61.62 | 1 | 8 | -1 | 108 | 424.429 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 3.51 | -28.76 | 2 | 8 | 0 | 106 | 425.437 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 4.49 | -24.17 | 1 | 8 | 0 | 102 | 425.437 | 7 | ↓ |