In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 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) | 5.93 | 8.16 | -23.67 | 3 | 9 | 0 | 141 | 496.57 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.38 | 7.69 | -92.12 | 1 | 9 | -2 | 147 | 494.554 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.93 | 8.93 | -45.4 | 2 | 9 | -1 | 144 | 495.562 | 7 | ↓ |