| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2011 | 39 | Yes |
Popular Name: 2-[(Dimethylamino)methylene]-3-(3,4-methylenedioxyphenyl)-3-oxopropanenitrile 2-[(Dimethylamino)methylene]-3-(…
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CAS Numbers: 137863-20-8 , 96219-78-2 , [137863-20-8]
(S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
(S)-Benzyl2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
| 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) | 6.75 | 16.62 | -47.26 | 0 | 8 | -1 | 99 | 524.645 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 6.75 | 18.17 | -20.86 | 1 | 8 | 0 | 101 | 525.653 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5399578 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.