In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 30 | 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) | 2.45 | 2.49 | -44.74 | 3 | 8 | 1 | 94 | 413.498 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 4.37 | -98.94 | 4 | 8 | 2 | 98 | 414.506 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.