In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 24 | 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) | 0.69 | 8.72 | -111.14 | 0 | 8 | -2 | 118 | 333.344 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 6.74 | -57.31 | 1 | 8 | -1 | 116 | 334.352 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.