In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 28 | 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) | 3.63 | 9.1 | -45.51 | 1 | 5 | 1 | 47 | 387.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 6.62 | -11.15 | 0 | 5 | 0 | 46 | 386.398 | 4 | ↓ |