In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 24 | No |
None
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) | 2.84 | 10.85 | -12.46 | 1 | 4 | 0 | 36 | 369.531 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 10.64 | -38.38 | 2 | 4 | 1 | 37 | 370.539 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.