In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2008 | 33 | 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) | 3.43 | 5.79 | -11.23 | 0 | 7 | 0 | 64 | 450.535 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 8.05 | -48.57 | 1 | 7 | 1 | 66 | 451.543 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 10.91 | -126.74 | 2 | 7 | 2 | 67 | 452.551 | 6 | ↓ |