In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2007 | 35 | 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) | 6.97 | 2.02 | -16.57 | 0 | 5 | 0 | 47 | 508.087 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.97 | 2.19 | -38.97 | 1 | 5 | 1 | 48 | 509.095 | 10 | ↓ |