In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 23 | 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) | -0.01 | 9.17 | -200.71 | 0 | 7 | -3 | 130 | 321.305 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.01 | 7.18 | -122.37 | 1 | 7 | -2 | 127 | 322.313 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.01 | 5.32 | -52.01 | 2 | 7 | -1 | 124 | 323.321 | 10 | ↓ |