In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 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) | -0.58 | 4.77 | -64.99 | 3 | 4 | 0 | 77 | 209.245 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.58 | 4.42 | -47.73 | 2 | 4 | -1 | 75 | 208.237 | 4 | ↓ |