In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 16 | 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) | 0.85 | 4.95 | -47.62 | 3 | 3 | 1 | 48 | 219.308 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 4.54 | -10.03 | 2 | 3 | 0 | 46 | 218.3 | 2 | ↓ |