In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2012 | 26 | No |
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CAS Number: 54394-90-0
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) | -3.91 | -8.5 | -243.12 | 5 | 15 | -3 | 253 | 416.152 | 6 | ↓ |
Mid Mid (pH 6-8) | -3.91 | -9.66 | -125.97 | 6 | 15 | -2 | 250 | 417.16 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.