| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 26 | Yes |
Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[2-(3,4-dimethoxyphenyl)ethyla…
| 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) | -2.51 | 3.01 | -36.05 | 2 | 7 | 1 | 74 | 360.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.88 | 1.27 | -17.24 | 1 | 7 | 0 | 80 | 359.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.51 | 5.37 | -109.04 | 3 | 7 | 2 | 75 | 361.442 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 1.35 | -110.86 | 3 | 7 | 2 | 79 | 361.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 3.64 | -64.05 | 2 | 7 | 1 | 82 | 360.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
