In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 5.81 | 10.56 | -47.63 | 2 | 7 | 1 | 76 | 513.087 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.81 | 8.49 | -10.91 | 1 | 7 | 0 | 74 | 512.079 | 7 | ↓ |