In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | -0.54 | 0.06 | -62.95 | 5 | 5 | 1 | 86 | 208.241 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.54 | -0.32 | -17.61 | 4 | 5 | 0 | 84 | 207.233 | 3 | ↓ |