| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2010 | 19 | Yes |
Popular Name: MFCD13343616 MFCD13343616
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1220036-10-1 , N/A
3-Amino-4-(4-methyl-piperazin-1-yl)-benzoic acid ethyl ester
Ethyl 3-amino-4-(4-methyl-1-piperazinyl)benzoate
Ethyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate
ethyl 3-amino-4-(4-methylpiperazino)benzoate
| 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) | 1.89 | 7.04 | -42.52 | 3 | 5 | 1 | 60 | 264.349 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 4.69 | -4.98 | 2 | 5 | 0 | 59 | 263.341 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
