In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2011 | 17 | 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) | 2.19 | 6.27 | -38.3 | 2 | 2 | 1 | 20 | 231.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 7.64 | -108.56 | 3 | 2 | 2 | 21 | 232.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.