In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 30 | 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) | 1.34 | 8.88 | -18.5 | 1 | 8 | 0 | 83 | 405.506 | 5 | ↓ |
Ref Reference (pH 7) | 1.34 | 8.86 | -17.56 | 1 | 8 | 0 | 83 | 405.506 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.34 | 9.28 | -45.28 | 2 | 8 | 1 | 84 | 406.514 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.34 | 9.31 | -45.32 | 2 | 8 | 1 | 84 | 406.514 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.