In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 19 | 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) | 2.73 | 5.71 | -7.05 | 1 | 3 | 0 | 42 | 257.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 6.18 | -36.08 | 2 | 3 | 1 | 44 | 258.341 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.