In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 35 | No |
None
None
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) | 2.20 | 3.8 | -46.85 | 3 | 9 | 1 | 106 | 485.557 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 2.07 | -48.7 | 1 | 9 | -1 | 108 | 483.541 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 1.49 | -13.72 | 2 | 9 | 0 | 105 | 484.549 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 3.83 | -44.77 | 3 | 9 | 1 | 106 | 485.557 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 4.37 | -32.71 | 2 | 9 | 0 | 109 | 484.549 | 8 | ↓ |