| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | Yes |
Popular Name: N-[[4-[(4-tert-butylpiperazin-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[(4-tert-butylpiperazin-1-…
| 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) | 2.16 | 5.87 | -81.21 | 3 | 4 | 2 | 37 | 312.527 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 4.51 | -31.8 | 2 | 4 | 1 | 33 | 311.519 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 3.75 | -37.94 | 2 | 4 | 1 | 36 | 311.519 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 2.38 | -4.76 | 1 | 4 | 0 | 31 | 310.511 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
