| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2012 | 20 | Yes |
Popular Name: (1R,2S,3R)-3-amino-4-(6-morpholinopyridin-3-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(6-morpholi…
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CAS Number: 1421058-60-7
| 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) | -1.33 | -0.81 | -102.1 | 6 | 6 | 2 | 95 | 281.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.33 | -1.41 | -8.15 | 4 | 6 | 0 | 92 | 279.34 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.33 | -1.13 | -51.37 | 5 | 6 | 1 | 93 | 280.348 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.33 | -1.09 | -31.24 | 5 | 6 | 1 | 93 | 280.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.