In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | 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) | 2.28 | 3.3 | -9.32 | 3 | 5 | 0 | 77 | 328.191 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 2.66 | -44.37 | 2 | 5 | -1 | 84 | 327.183 | 3 | ↓ |