In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 35 | 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) | 2.64 | 4.64 | -15.51 | 2 | 9 | 0 | 98 | 485.581 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 6.57 | -55.22 | 3 | 9 | 1 | 100 | 486.589 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.