In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 16 | 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) | 2.02 | 6.02 | -32.17 | 2 | 3 | 1 | 30 | 223.34 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 6.95 | -108.42 | 3 | 3 | 2 | 34 | 224.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.