In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 17 | 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) | 2.59 | 6.17 | -9.2 | 2 | 3 | 0 | 44 | 223.279 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 6.14 | -6.97 | 2 | 3 | 0 | 44 | 223.279 | 0 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 6.39 | -118.74 | 4 | 3 | 2 | 43 | 225.295 | 0 | ↓ |