| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 19 | No |
Popular Name: (3E)-4-chloro-7-methyl-3-(5-oxo-2-thioxo-imidazolidin-4-ylidene)indolin-2-one (3E)-4-chloro-7-methyl-3-(5-oxo-…
| 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) | 2.55 | -1.12 | -204.53 | 0 | 5 | -3 | 86 | 290.711 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 2 | -38.71 | 2 | 5 | -1 | 85 | 292.727 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | -0.03 | -108.86 | 1 | 5 | -2 | 88 | 291.719 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | -0.85 | -48.89 | 2 | 5 | -1 | 85 | 292.727 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | 1.2 | -12.26 | 3 | 5 | 0 | 82 | 293.735 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
