In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 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) | 3.09 | 6.9 | -9.62 | 1 | 5 | 0 | 60 | 328.412 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 7.18 | -41.26 | 2 | 5 | 1 | 62 | 329.42 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.