In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2013 | 19 | Yes |
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CAS Number: 53910-25-1
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) | -2.08 | -3.58 | -49.9 | 5 | 8 | 1 | 114 | 269.281 | 2 | ↓ |
Lo Low (pH 4.5-6) | -2.08 | -3.12 | -97.35 | 6 | 8 | 2 | 115 | 270.289 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.