In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 34 | 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) | 2.00 | 5.77 | -58.88 | 0 | 9 | -1 | 116 | 487.554 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 5.91 | -17.99 | 1 | 9 | 0 | 113 | 488.562 | 9 | ↓ |