In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2007 | 32 | Yes |
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) | 0.80 | 4.9 | -21.35 | 3 | 9 | 0 | 128 | 436.468 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 3.07 | -44.82 | 2 | 9 | -1 | 131 | 435.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 1.02 | -42.37 | 2 | 9 | -1 | 132 | 435.46 | 5 | ↓ |