In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 28 | 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) | 1.84 | 4.75 | -47.4 | 3 | 7 | 1 | 77 | 384.504 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 6.87 | -115.24 | 4 | 7 | 2 | 78 | 385.512 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.