In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 15 | 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) | 3.05 | 4.15 | -47.15 | 3 | 3 | 1 | 54 | 244.101 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 3.75 | -5.07 | 2 | 3 | 0 | 52 | 243.093 | 2 | ↓ |