| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 16 | Yes |
Popular Name: MFCD05238084 MFCD05238084
Find On: PubMed — Wikipedia — Google
CAS Number: 726162-94-3
(1-Ethyl-pyrrolidin-2-ylmethyl)-pyridin-4-ylmethyl-amine
| 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) | 1.00 | 6.8 | -121.45 | 3 | 3 | 2 | 34 | 221.348 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 5 | -42.49 | 2 | 3 | 1 | 33 | 220.34 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 5.87 | -32.88 | 2 | 3 | 1 | 29 | 220.34 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 6.31 | -79.86 | 3 | 3 | 2 | 31 | 221.348 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
