| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 14 | Yes |
Popular Name: (3S,4S)-3,4-Diamino-1-benzyl pyrrolidine (3S,4S)-3,4-Diamino-1-benzyl pyr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 140134-21-0 , 193352-75-9 , 246149-02-0
(3r,4r)-(-)-3,4-diamino-1-benzylpyrrolidine
| 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 | -0.38 | -130.18 | 6 | 3 | 2 | 59 | 193.294 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | -0.95 | -3.08 | 4 | 3 | 0 | 55 | 191.278 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | -0.72 | -45.78 | 5 | 3 | 1 | 57 | 192.286 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.67 | 1.79 | -118.92 | 6 | 3 | 2 | 58 | 193.294 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP1049537A2; US6130349 | IBM Patent Data |
