In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 28 | 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) | 2.98 | 4.96 | -18.67 | 5 | 8 | 0 | 118 | 377.404 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 4.73 | -36.73 | 6 | 8 | 1 | 120 | 378.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.