| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 19 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[4-(3…
| 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) | 1.14 | 3.62 | -37.75 | 2 | 4 | 1 | 40 | 282.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 3.74 | -6.3 | 1 | 4 | 0 | 36 | 281.425 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 5.85 | -96.26 | 3 | 4 | 2 | 41 | 283.441 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
