| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | Yes |
Popular Name: [4-[(4-ethylpiperazin-1-yl)methyl]thiazol-2-yl]methanamine [4-[(4-ethylpiperazin-1-yl)methy…
| 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) | 0.10 | 1.66 | -88.39 | 4 | 4 | 2 | 48 | 242.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | -1.01 | -4.63 | 2 | 4 | 0 | 45 | 240.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | -0.62 | -43.92 | 3 | 4 | 1 | 47 | 241.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 1.65 | -94.3 | 4 | 4 | 2 | 48 | 242.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
