In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 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) | 1.96 | 5.06 | -49.61 | 3 | 4 | 1 | 59 | 244.318 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 3.7 | -11.29 | 2 | 4 | 0 | 54 | 243.31 | 4 | ↓ |