In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 33 | 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) | 5.92 | 11.71 | -13.01 | 1 | 5 | 0 | 75 | 491.922 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.92 | 11.88 | -47.75 | 2 | 5 | 1 | 76 | 492.93 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.