In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 27 | 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) | 4.11 | 10.3 | -61.35 | 0 | 6 | -1 | 77 | 399.521 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 10.68 | -23.92 | 1 | 6 | 0 | 75 | 400.529 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.