| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2012 | 23 | Yes |
Popular Name: tert-Butyl 5-(4-methylpiperazin-1-yl)-1H-indole-1-carboxylate tert-Butyl 5-(4-methylpiperazin-…
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CAS Numbers: 913388-48-4 , [913388-48-4]
1-Boc-5-(4-methyl-1-piperazinyl)-1H-indole
1H-Indole-1-carboxylic acid, 5-(4-methyl-1-piperazinyl)-, 1,1-dimethylethyl ester
2-(Piperazin-1-yl)isonicotinic acid
tert-Butyl5-(4-methylpiperazin-1-yl)-1H-indole-1-carboxylate
| 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) | 3.23 | 10.13 | -43.55 | 1 | 5 | 1 | 39 | 316.425 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 7.77 | -7.84 | 0 | 5 | 0 | 38 | 315.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.