In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 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) | 0.81 | 0.22 | -15.97 | 3 | 5 | 0 | 78 | 208.217 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 1.21 | -61.63 | 2 | 5 | -1 | 81 | 207.209 | 2 | ↓ |