In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 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) | 2.48 | 6.99 | -42.79 | 2 | 2 | 1 | 29 | 233.36 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.63 | -6.14 | 1 | 2 | 0 | 25 | 232.352 | 6 | ↓ |