In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 20 | 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) | 0.91 | 4.11 | -34.85 | 4 | 5 | 1 | 69 | 284.424 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 2.19 | -6.09 | 3 | 5 | 0 | 68 | 283.416 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.