In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2010 | 22 | No |
Popular Name: (1S,2S)-1,2-Bis(4-nitrophenyl)ethylenediaminedihydrochloride (1S,2S)-1,2-Bis(4-nitrophenyl)et…
Find On: PubMed — Wikipedia — Google
CAS Number: 1052707-07-9
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) | -1.54 | 5.16 | -14.5 | 4 | 8 | 0 | 144 | 302.29 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.54 | 5.45 | -75.77 | 5 | 8 | 1 | 145 | 303.298 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.54 | 5.74 | -181.28 | 6 | 8 | 2 | 147 | 304.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.