In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 35 | 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) | 2.35 | 4.38 | -66.37 | 0 | 9 | -1 | 101 | 481.525 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.77 | -1.07 | -49.81 | 1 | 9 | 1 | 95 | 483.541 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 6.72 | -80.45 | 1 | 9 | 0 | 102 | 482.533 | 9 | ↓ |