In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 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) | 1.15 | 2.56 | -48.22 | 4 | 3 | 1 | 60 | 213.688 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 1.21 | -8.35 | 3 | 3 | 0 | 55 | 212.68 | 5 | ↓ |