In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 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) | 5.83 | 11.14 | -11.3 | 2 | 3 | 0 | 49 | 391.555 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.83 | 11.47 | -45.57 | 3 | 3 | 1 | 54 | 392.563 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.