In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 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) | -0.27 | 2.27 | -86.79 | 5 | 4 | 2 | 61 | 203.33 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.27 | 1.92 | -40.59 | 4 | 4 | 1 | 60 | 202.322 | 7 | ↓ |