In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 12 | 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 | 3.34 | -5.86 | 1 | 2 | 0 | 21 | 167.183 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 3.76 | -40.21 | 2 | 2 | 1 | 26 | 168.191 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.