In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2011 | 26 | No |
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) | 4.44 | 11.59 | -34.97 | 0 | 6 | -1 | 91 | 470.733 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.44 | 10.58 | -13.04 | 1 | 6 | 0 | 88 | 471.741 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.