In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 33 | Yes |
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) | 3.69 | 9.64 | -12.87 | 0 | 6 | 0 | 62 | 444.51 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 11.51 | -60.86 | 1 | 6 | 1 | 64 | 445.518 | 4 | ↓ |