| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2011 | 12 | Yes |
Popular Name: 1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol; 32780-32-8; CPD-7301; validamine 1D-1-amino-1,5,6-trideoxy-5-(hyd…
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CAS Number: 32780-32-8
| 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) | -2.67 | -7.77 | -48.59 | 7 | 5 | 1 | 109 | 178.208 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.67 | -9.29 | -6.26 | 6 | 5 | 0 | 107 | 177.2 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.