In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2011 | 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) | 1.92 | 4.93 | -52.01 | 3 | 5 | 1 | 58 | 264.349 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 3.65 | -9.77 | 2 | 5 | 0 | 54 | 263.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.