| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2014 | 14 | No |
Popular Name: 5,6-Dihydroxytryptamine creatinine sulfate 5,6-Dihydroxytryptamine creatini…
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CAS Number: 36928-25-3
| 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) | -1.02 | -0.91 | -54.96 | 4 | 4 | 1 | 77 | 193.226 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | -0.24 | -69.43 | 3 | 4 | 0 | 80 | 192.218 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | -0.63 | -42.48 | 2 | 4 | -1 | 79 | 191.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | -1.05 | -55.38 | 4 | 4 | 1 | 77 | 193.226 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.