| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2012 | 12 | Yes |
Popular Name: (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(methylamino)tetrahydrofuran-3-ol (2S,3S,4R,5R)-5-(aminomethyl)-2-…
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CAS Number: 1421051-04-8
| 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) | -2.57 | -5.86 | -108.74 | 7 | 5 | 2 | 94 | 178.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.57 | -7.68 | -7.22 | 5 | 5 | 0 | 88 | 176.216 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.57 | -6.25 | -39.06 | 6 | 5 | 1 | 92 | 177.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.57 | -7.28 | -44.02 | 6 | 5 | 1 | 89 | 177.224 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.