In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 27 | No |
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) | 4.80 | 11.99 | -9.97 | 1 | 4 | 0 | 42 | 362.473 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.80 | 12.79 | -41.16 | 2 | 4 | 0 | 43 | 363.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.