In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 19 | 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) | 2.35 | 7.98 | -8.62 | 2 | 6 | 0 | 90 | 254.249 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 8.46 | -39.46 | 3 | 6 | 1 | 91 | 255.257 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.