In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2011 | 22 | 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) | 4.34 | 11.14 | -105 | 4 | 2 | 2 | 33 | 298.474 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 10.04 | -40.19 | 3 | 2 | 1 | 29 | 297.466 | 9 | ↓ |