| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 27 | No |
Popular Name: Benzoic acid, 4-[3-amino-1-oxo-3-[4-(pentyloxy)phenyl]-2-propen-1-yl]-, methyl ester Benzoic acid, 4-[3-amino-1-oxo-3…
Find On: PubMed — Wikipedia — Google
CAS Number: 849371-69-3
| 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) | 4.88 | 10.69 | -9.65 | 2 | 5 | 0 | 79 | 367.445 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.88 | 10.4 | -11.26 | 2 | 5 | 0 | 79 | 367.445 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.