In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | 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) | 1.90 | 3.38 | -52.63 | 2 | 4 | 1 | 42 | 250.347 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 1.97 | -10.76 | 1 | 4 | 0 | 37 | 249.339 | 2 | ↓ |