In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 29 | 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) | 5.62 | 13.3 | -10.2 | 2 | 7 | 0 | 79 | 416.957 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.62 | 12.31 | -26.14 | 3 | 7 | 1 | 80 | 417.965 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.62 | 13.66 | -26.43 | 3 | 7 | 1 | 80 | 417.965 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.