| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 22 | Yes |
Popular Name: 1-tert-butyl-3-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]urea 1-tert-butyl-3-[(2S)-2-(4-methyl…
| 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) | 2.03 | 4.72 | -40.1 | 3 | 5 | 1 | 49 | 325.502 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 2.34 | -7.64 | 2 | 5 | 0 | 48 | 324.494 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 4.39 | -38.3 | 3 | 5 | 1 | 49 | 325.502 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
