In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 18 | 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) | 2.15 | 5.83 | -9.29 | 1 | 4 | 0 | 53 | 244.294 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 3.86 | -48.4 | 0 | 4 | -1 | 56 | 243.286 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.