In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 33 | 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) | 4.00 | 9.49 | -54.97 | 2 | 7 | 1 | 85 | 483.639 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.00 | 7.25 | -16.49 | 1 | 7 | 0 | 84 | 482.631 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.