In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 3.22 | 14.85 | -37.06 | 1 | 7 | 1 | 55 | 476.645 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 12.62 | -11.14 | 0 | 7 | 0 | 54 | 475.637 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 14.97 | -80.45 | 2 | 7 | 2 | 56 | 477.653 | 10 | ↓ |