In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 26 | No |
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) | 2.98 | 10.61 | -13.07 | 1 | 5 | 0 | 60 | 370.281 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 10.15 | -33.98 | 0 | 5 | -1 | 61 | 369.273 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.