In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2010 | 14 | 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) | 1.01 | 2.76 | -57.54 | 2 | 4 | 1 | 46 | 199.274 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 1.31 | -9.37 | 1 | 4 | 0 | 42 | 198.266 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.