In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 18 | 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) | 2.14 | 6.21 | -48.27 | 1 | 4 | -1 | 65 | 245.233 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.68 | -58.98 | 2 | 4 | 0 | 66 | 246.241 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.