| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 27 | No |
Popular Name: MFCD18384857 MFCD18384857
Find On: PubMed — Wikipedia — Google
CAS Number: 1299607-53-6
4-[3-(1,3-Dioxo-indan-2-yl)-propyl]-piperazine-1-carboxylic acid tert-butyl ester
4-[3-(1,3-dioxo-indan-2-yl)-propyl]-piperazine-1-carboxylicacidtert-butylester
| 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) | 3.40 | 10.5 | -46.63 | 1 | 6 | 0 | 74 | 372.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 8.31 | -44.09 | 0 | 6 | -1 | 73 | 371.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 10.54 | -45.98 | 1 | 6 | 1 | 68 | 373.473 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
