| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 17 | No |
Popular Name: N-(2-Aminoethyl)-N-[4-(methylsulfonyl)-2-nitroaniline N-(2-Aminoethyl)-N-[4-(methylsul…
Find On: PubMed — Wikipedia — Google
CAS Number: 849035-93-4
| 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) | 0.13 | 1.95 | -56.06 | 3 | 7 | 1 | 111 | 260.295 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 1.61 | -21.3 | 2 | 7 | 0 | 109 | 259.287 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 144 - 145° | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
