In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 24 | 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) | 2.79 | 6.62 | -10.93 | 1 | 6 | 0 | 67 | 337.408 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 7.88 | -32.49 | 1 | 6 | 0 | 66 | 337.408 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.33 | 10.75 | -99.94 | 3 | 6 | 2 | 69 | 339.424 | 0 | ↓ |