| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2014 | 26 | Yes |
Popular Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol (S)-2-(3-benzoylphenyl)propanoate 2-Amino-2-(hydroxymethyl)propane…
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CAS Number: 156604-79-4
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| 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) | 1.77 | 2.95 | -53.25 | 5 | 6 | 1 | 111 | 358.414 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 2.66 | -13.16 | 4 | 6 | 0 | 110 | 357.406 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.