In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2005 | 31 | 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) | 2.22 | 2.06 | -56.65 | 2 | 7 | 1 | 80 | 429.468 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 1.94 | -68.35 | 1 | 7 | 1 | 77 | 429.468 | 8 | ↓ |