In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 15 | Yes |
None
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) | 2.39 | 7.94 | -45.1 | 1 | 2 | 1 | 22 | 269.162 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 5.76 | -5.11 | 0 | 2 | 0 | 20 | 268.154 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.