In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 10 | 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) | -1.61 | -3.32 | -43.48 | 5 | 4 | 1 | 80 | 147.198 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.61 | -4.67 | -9.21 | 4 | 4 | 0 | 75 | 146.19 | 6 | ↓ |