| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 31 | No |
Popular Name: benzoic acid, 3-nitro-, 2-[[[1,4-dioxo-4-(2-phenylethoxy)butyl]amino]thioxomethyl]hydrazide benzoic acid, 3-nitro-, 2-[[[1,4…
| 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) | 2.24 | 10.98 | -31.68 | 3 | 10 | 0 | 142 | 444.469 | 12 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 10.79 | -63.53 | 2 | 10 | -1 | 143 | 443.461 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
