In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 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) | 0.81 | 4.63 | -33.81 | 3 | 3 | 1 | 48 | 197.302 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 4.29 | -5.65 | 2 | 3 | 0 | 46 | 196.294 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.