In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 26 | 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) | 2.54 | 1.35 | -44.55 | 1 | 7 | -1 | 104 | 371.756 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 2.13 | -93.2 | 0 | 7 | -2 | 107 | 370.748 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 4.02 | -11.1 | 2 | 7 | 0 | 101 | 372.764 | 3 | ↓ |