In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 36 | 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) | 2.40 | 4.66 | -48.6 | 1 | 9 | -1 | 112 | 495.552 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 7.01 | -58.78 | 2 | 9 | 0 | 113 | 496.56 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 6.19 | -52.2 | 3 | 9 | 1 | 110 | 497.568 | 9 | ↓ |