In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 15 | 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) | -0.22 | 4.37 | -60.02 | 0 | 5 | -1 | 73 | 205.193 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.22 | 4.82 | -58.85 | 1 | 5 | 0 | 75 | 206.201 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.