| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2012 | 15 | Yes |
Popular Name: (1R,2S,3R)-3-amino-4-p-tolylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-p-tolylcycl…
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CAS Number: 1421058-59-4
| 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) | 0.53 | 0.18 | -45.88 | 5 | 3 | 1 | 68 | 208.281 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | -0.11 | -4.62 | 4 | 3 | 0 | 66 | 207.273 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.