| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
Popular Name: Boc-3-aminobenzene-1,2-dicarboxylic acid Boc-3-aminobenzene-1,2-dicarboxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1185302-72-0 , [1185302-72-0]
| 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) | 1.88 | 6.39 | -132.66 | 1 | 7 | -2 | 119 | 279.248 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.3 | -49.74 | 2 | 7 | -1 | 116 | 280.256 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.44 | -59.35 | 2 | 7 | -1 | 116 | 280.256 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
