In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 26th, 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) | 2.10 | 4.59 | -64.77 | 1 | 8 | -1 | 108 | 440.472 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 3.56 | -32.33 | 2 | 8 | 0 | 106 | 441.48 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.52 | -3.25 | -25.33 | 1 | 8 | 0 | 102 | 441.48 | 11 | ↓ |