In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2010 | 19 | 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) | 0.92 | 5.14 | -53.55 | 1 | 7 | -1 | 100 | 254.229 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | 5.55 | -39.04 | 2 | 7 | 0 | 101 | 255.237 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.