In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2011 | 23 | No |
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) | 3.34 | 5.99 | -51.17 | 0 | 5 | -1 | 67 | 345.835 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 7.28 | -16.67 | 1 | 5 | 0 | 64 | 346.843 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.