In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 35 | 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) | 4.01 | 8.87 | -57.79 | 0 | 7 | -1 | 82 | 497.999 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 11.2 | -70.78 | 1 | 7 | 0 | 83 | 499.007 | 9 | ↓ |