In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 39 | 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) | 0.22 | 1 | -51.01 | 5 | 12 | 1 | 151 | 553.629 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.22 | -0.39 | -13.21 | 4 | 12 | 0 | 146 | 552.621 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.