| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 25 | Yes |
Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[(3,4-dimethoxyphenyl)methylam…
| 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) | -2.28 | -0.29 | -35.32 | 2 | 7 | 1 | 78 | 346.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.45 | -9.76 | 1 | 7 | 0 | 75 | 345.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.28 | 0.48 | -16.2 | 1 | 7 | 0 | 80 | 345.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.28 | 0.58 | -109.3 | 3 | 7 | 2 | 79 | 347.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.28 | 2.08 | -102.24 | 3 | 7 | 2 | 79 | 347.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
