In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 11 | 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) | 0.71 | 0.09 | -36.09 | 5 | 3 | 1 | 72 | 171.607 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 1.09 | -39.31 | 4 | 3 | 0 | 75 | 170.599 | 1 | ↓ |