In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | No |
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) | 3.11 | 6.25 | -13.35 | 0 | 8 | 0 | 80 | 455.507 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 9.1 | -56.24 | 1 | 8 | 1 | 81 | 456.515 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.