In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 22 | 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) | 3.11 | 9.76 | -13.23 | 1 | 5 | 0 | 60 | 294.358 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 10.31 | -40.16 | 2 | 5 | 1 | 61 | 295.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.