| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 25 | Yes |
Popular Name: (2S)-N1-[3-[[(2S)-2-amino-3-phenyl-propyl]amino]propyl]-3-phenyl-propane-1,2-diamine (2S)-N1-[3-[[(2S)-2-amino-3-phen…
None
| 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) | 0.79 | 6.16 | -206.21 | 9 | 4 | 3 | 84 | 343.539 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 5.27 | -43.5 | 7 | 4 | 1 | 81 | 341.523 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 7.39 | -354.22 | 10 | 4 | 4 | 88 | 344.547 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 7.09 | -230.46 | 9 | 4 | 3 | 87 | 343.539 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 5.75 | -96.79 | 8 | 4 | 2 | 82 | 342.531 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4987227; US5126464; US5428180 | IBM Patent Data |
