In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 25 | Yes |
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) | 2.26 | 8.48 | -11.99 | 1 | 6 | 0 | 63 | 335.411 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 9.26 | -62.76 | 2 | 6 | 0 | 64 | 336.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.