In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 27 | 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) | 0.70 | 3.37 | -21.55 | 3 | 9 | 0 | 114 | 386.437 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.70 | 3.81 | -41.24 | 4 | 9 | 1 | 115 | 387.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.