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) | 4.34 | 11.15 | -52.34 | 2 | 7 | 1 | 83 | 476.549 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 9.33 | -42.48 | 0 | 7 | -1 | 84 | 474.533 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 8.77 | -12.8 | 1 | 7 | 0 | 81 | 475.541 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 11.71 | -30.62 | 1 | 7 | 0 | 85 | 475.541 | 8 | ↓ |