In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 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) | 2.03 | 6.41 | -9.38 | 0 | 3 | 0 | 46 | 210.236 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 6.84 | -41.61 | 1 | 3 | 1 | 47 | 211.244 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.