| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 17 | Yes |
Popular Name: N,N-diisopropyl-N'-(3-pyridylmethyl)ethane-1,2-diamine N,N-diisopropyl-N'-(3-pyridylmet…
| 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) | 1.64 | 4.85 | -44.91 | 2 | 3 | 1 | 33 | 236.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 3.11 | -3.57 | 1 | 3 | 0 | 28 | 235.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 5.49 | -33.34 | 2 | 3 | 1 | 29 | 236.383 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 6.71 | -117.48 | 3 | 3 | 2 | 34 | 237.391 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 5.92 | -79.46 | 3 | 3 | 2 | 31 | 237.391 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5470855; US5780468; US5891893; US5891894; US6057318 | IBM Patent Data |
