| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 14 | Yes |
Popular Name: (3R,4R)-(-)-3,4-DiaMino-1-benzylpyrrolidine (3R,4R)-(-)-3,4-DiaMino-1-benzyl…
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CAS Numbers: 140134-21-0 , 193352-75-9
| 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) | -0.67 | 0.2 | -135.36 | 6 | 3 | 2 | 59 | 193.294 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | -0.39 | -2.06 | 4 | 3 | 0 | 55 | 191.278 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 2.05 | -32.5 | 5 | 3 | 1 | 56 | 192.286 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | -0.17 | -41.52 | 5 | 3 | 1 | 57 | 192.286 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1049537A2; US6130349 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.