In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 30 | 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) | 5.67 | 14.81 | -55.76 | 0 | 3 | -1 | 57 | 403.542 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.67 | 12.81 | -10.27 | 1 | 3 | 0 | 54 | 404.55 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.