In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 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) | 0.94 | 4.92 | -38.42 | 1 | 3 | 1 | 25 | 211.329 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 7.37 | -109.02 | 2 | 3 | 2 | 26 | 212.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.