In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 40 | 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) | 3.49 | 7.06 | -33.77 | 2 | 11 | 0 | 144 | 580.644 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 6.61 | -75.97 | 1 | 11 | -1 | 146 | 579.636 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.