In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2011 | 29 | No |
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CAS Number: 137391-68-5
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) | -0.06 | 1.4 | -16.78 | 4 | 12 | 0 | 202 | 405.367 | 9 | ↓ |
Lo Low (pH 4.5-6) | -0.06 | 1.82 | -50.89 | 5 | 12 | 1 | 204 | 406.375 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.