In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 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) | 3.81 | 8.16 | -8.06 | 2 | 3 | 0 | 41 | 251.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.81 | 8.3 | -26.42 | 3 | 3 | 1 | 42 | 252.341 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.