In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 1.75 | 4.2 | -115.11 | 4 | 4 | 2 | 45 | 297.487 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 3.83 | -37.37 | 3 | 4 | 1 | 43 | 296.479 | 4 | ↓ |