In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 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) | 0.22 | 3.05 | -40.49 | 3 | 4 | 0 | 77 | 215.636 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 3.82 | -68.01 | 2 | 4 | -1 | 80 | 214.628 | 4 | ↓ |