In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 2.72 | 6.62 | -60.49 | 0 | 8 | -1 | 95 | 453.515 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 8.96 | -73.22 | 1 | 8 | 0 | 96 | 454.523 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 8.14 | -49.18 | 2 | 8 | 1 | 94 | 455.531 | 10 | ↓ |