In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2011 | 26 | Yes |
None
None
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) | 3.44 | 10.02 | -38.87 | 2 | 5 | 1 | 54 | 400.996 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 9.22 | -15.7 | 1 | 5 | 0 | 53 | 399.988 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.