| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 18 | No |
Popular Name: (2S)-N1-[(2S)-2-aminopropyl]-3-(4-nitrophenyl)propane-1,2-diamine (2S)-N1-[(2S)-2-aminopropyl]-3-(…
| 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) | -0.42 | 2.2 | -124.45 | 7 | 6 | 2 | 113 | 254.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.42 | 1.62 | -46.5 | 6 | 6 | 1 | 112 | 253.326 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.42 | 3.46 | -268.23 | 8 | 6 | 3 | 118 | 255.342 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000051976A1 | IBM Patent Data |
