In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 15 | 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) | 2.19 | 5.05 | -37.15 | 2 | 3 | 1 | 29 | 209.313 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 3.77 | -4.27 | 1 | 3 | 0 | 24 | 208.305 | 5 | ↓ |