| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 25 | No |
Popular Name: 1-(3-amino-4-methyl-phenyl)-3-[1-[2-(butylamino)ethyl]piperazin-1-ium-1-yl]propan-1-one 1-(3-amino-4-methyl-phenyl)-3-[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) | -2.19 | 5.74 | -36.78 | 4 | 5 | 1 | 67 | 347.527 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | 7.1 | -125.37 | 5 | 5 | 2 | 72 | 348.535 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | 7.12 | -119.7 | 5 | 5 | 2 | 72 | 348.535 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
