In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 29 | 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 | 8.8 | -10.12 | 1 | 4 | 0 | 42 | 432.655 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 11.06 | -46.78 | 2 | 4 | 1 | 43 | 433.663 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.