In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | 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) | 2.58 | 5.18 | -50.22 | 4 | 5 | 1 | 77 | 361.849 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.87 | -9.93 | 3 | 5 | 0 | 76 | 360.841 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.