In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 14 | 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) | 0.39 | 0.42 | -43.85 | 4 | 4 | 1 | 66 | 201.29 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.39 | -0.93 | -9.93 | 3 | 4 | 0 | 61 | 200.282 | 6 | ↓ |