In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 33 | 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) | 2.49 | 9.64 | -41.64 | 4 | 7 | 1 | 91 | 470.663 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 9.19 | -13.99 | 3 | 7 | 0 | 90 | 469.655 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 9.21 | -14.54 | 3 | 7 | 0 | 90 | 469.655 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 10.37 | -53.53 | 4 | 7 | 1 | 95 | 470.663 | 9 | ↓ |