| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 22 | No |
Popular Name: (3E)-1-ethyl-5-nitro-3-(5-oxo-2-sulfanyl-1H-imidazol-4-ylidene)indolin-2-one (3E)-1-ethyl-5-nitro-3-(5-oxo-2-…
| 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) | 1.90 | 2.64 | -108 | 0 | 8 | -2 | 123 | 316.298 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 4.69 | -37.47 | 1 | 8 | -1 | 120 | 317.306 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 3.89 | -15.76 | 2 | 8 | 0 | 117 | 318.314 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 1.84 | -50.73 | 1 | 8 | -1 | 120 | 317.306 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
