In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2007 | 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) | 2.91 | 8.6 | -50.48 | 2 | 7 | 1 | 81 | 445.923 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 9.26 | -58.06 | 1 | 7 | 1 | 77 | 445.923 | 8 | ↓ |