In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | 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) | 1.13 | 2.35 | -12.06 | 4 | 4 | 0 | 82 | 259.334 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.13 | 2.81 | -41.39 | 5 | 4 | 1 | 83 | 260.342 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.