| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2012 | 14 | Yes |
Popular Name: (1R,2S,3R)-3-amino-4-(pyridin-4-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(pyridin-4-…
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CAS Number: 1421058-63-0
| 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) | -1.20 | -2.25 | -50.42 | 5 | 4 | 1 | 81 | 195.242 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.20 | -2.54 | -6.08 | 4 | 4 | 0 | 79 | 194.234 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.20 | -1.79 | -100.51 | 6 | 4 | 2 | 82 | 196.25 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.