In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 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) | 5.54 | 9.94 | -114.91 | 4 | 2 | 2 | 32 | 294.527 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.54 | 9.71 | -29.03 | 3 | 2 | 1 | 30 | 293.519 | 4 | ↓ |