In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | 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) | 1.59 | 4.27 | -51.49 | 0 | 6 | -1 | 92 | 282.279 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 2.29 | -16.49 | 1 | 6 | 0 | 89 | 283.287 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.