In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 2.03 | 5.73 | -15.23 | 1 | 3 | 0 | 57 | 202.257 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 3.54 | -45.84 | 0 | 3 | -1 | 60 | 201.249 | 1 | ↓ |