In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 16 | 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) | 1.39 | 5.41 | -42.13 | 2 | 4 | 1 | 57 | 224.328 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.34 | -31.87 | 1 | 4 | 0 | 64 | 223.32 | 5 | ↓ |