In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 36 | 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) | 7.31 | 18.98 | -73.58 | 1 | 5 | 0 | 53 | 506.09 | 5 | ↓ |
Hi High (pH 8-9.5) | 7.31 | 16.76 | -53.09 | 0 | 5 | -1 | 52 | 505.082 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.