In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 29 | 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) | 6.02 | 11.71 | -14.17 | 0 | 5 | 0 | 57 | 413.587 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.02 | 11.94 | -33.64 | 1 | 5 | 1 | 58 | 414.595 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.