In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2011 | 15 | 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) | 2.05 | 5 | -47.54 | 2 | 2 | 1 | 26 | 214.235 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 3.63 | -6.48 | 1 | 2 | 0 | 21 | 213.227 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.