In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 13 | 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) | 2.31 | 6.91 | -50.43 | 2 | 2 | 1 | 40 | 183.319 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 5.89 | -5.4 | 1 | 2 | 0 | 36 | 182.311 | 7 | ↓ |