In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2011 | 10 | No |
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) | 0.86 | 2.1 | -4.65 | 0 | 2 | 0 | 20 | 204.067 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 4.49 | -39.49 | 1 | 2 | 1 | 22 | 205.075 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.