In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 34 | 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) | 3.42 | 4.02 | -21.42 | 3 | 9 | 0 | 134 | 477.498 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 4.82 | -58.94 | 2 | 9 | -1 | 137 | 476.49 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.