In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2010 | 25 | Yes |
None
None
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) | 2.84 | 8.76 | -44.33 | 2 | 5 | 1 | 53 | 361.535 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 6.77 | -10.22 | 1 | 5 | 0 | 52 | 360.527 | 4 | ↓ |