In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 15 | Yes |
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) | 1.36 | 6.2 | -39.22 | 2 | 2 | 1 | 34 | 202.277 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 4.84 | -6.36 | 1 | 2 | 0 | 29 | 201.269 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.