In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 34 | 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) | 0.52 | 3.03 | -67 | 2 | 10 | -1 | 138 | 468.486 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 4.33 | -67.24 | 4 | 10 | 1 | 137 | 470.502 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 5.37 | -65.46 | 3 | 10 | 1 | 134 | 470.502 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 5.37 | -79.32 | 3 | 10 | 0 | 140 | 469.494 | 9 | ↓ |