In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 23 | 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) | 0.98 | 2.48 | -92.48 | 3 | 7 | 0 | 112 | 360.457 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 1.09 | -64.35 | 2 | 7 | -1 | 108 | 359.449 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.