| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 21 | No |
Popular Name: 3-amino-4-[(3-oxo-5-phenyl-isoxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione 3-amino-4-[(3-oxo-5-phenyl-isoxa…
| 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) | -0.39 | -1.46 | -19.34 | 2 | 7 | 0 | 119 | 284.251 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | -4.86 | -56.09 | 4 | 7 | 0 | 128 | 285.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 0.21 | -15.83 | 3 | 7 | 0 | 116 | 285.259 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 0.21 | -13.35 | 3 | 7 | 0 | 116 | 285.259 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | -4.04 | -90.71 | 5 | 7 | 1 | 129 | 286.267 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-imino-4-[(5-phenylisoxazol-4-yl)methylamino]cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/14538.gif)