In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 17 | No |
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) | 2.04 | 4.49 | -47.96 | 1 | 4 | -1 | 69 | 250.127 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 2.84 | -103.93 | 0 | 4 | -2 | 76 | 249.119 | 3 | ↓ |