| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 18 | Yes |
Popular Name: 4-{[3-(aminomethyl)benzene]sulfonyl}piperazin-2-one hydrochloride 4-{[3-(aminomethyl)benzene]sulfo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1235440-29-5 , 933989-70-9
| 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) | -0.12 | -1.49 | -56.64 | 4 | 6 | 1 | 94 | 270.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | -1.88 | -15.11 | 3 | 6 | 0 | 93 | 269.326 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129...131 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
