In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 21 | 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) | 2.07 | 8.5 | -80.97 | 3 | 4 | 2 | 34 | 291.439 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 5.98 | -43.03 | 2 | 4 | 1 | 32 | 290.431 | 5 | ↓ |