In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 16 | 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) | 4.06 | 8.92 | -2.29 | 0 | 1 | 0 | 3 | 215.34 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 9.31 | -30.32 | 1 | 1 | 1 | 4 | 216.348 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.