In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 25 | 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) | 2.60 | 6.79 | -9.12 | 2 | 5 | 0 | 59 | 352.463 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 8.15 | -54.6 | 3 | 5 | 1 | 64 | 353.471 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.