In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 28 | 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) | 4.91 | 11.2 | -12.36 | 1 | 5 | 0 | 48 | 413.568 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.91 | 11.28 | -42.16 | 2 | 5 | 1 | 52 | 414.576 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.