In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | 0.76 | 6.96 | -65.54 | 1 | 6 | -1 | 90 | 297.375 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.76 | 4.99 | -23.83 | 2 | 6 | 0 | 87 | 298.383 | 7 | ↓ |