In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 19 | 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) | 2.02 | 5.64 | -13.54 | 3 | 7 | 0 | 113 | 255.237 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 4.45 | -36.76 | 2 | 7 | -1 | 112 | 254.229 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.