In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 32 | 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) | 2.84 | 6.28 | -52.26 | 0 | 8 | -1 | 97 | 440.472 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 5.34 | -27.26 | 1 | 8 | 0 | 95 | 441.48 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 6.32 | -18.52 | 0 | 8 | 0 | 91 | 441.48 | 9 | ↓ |