| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | No |
Popular Name: (2S)-3-chloro-2-methyl-1-[4-(2-thienylmethyl)piperazin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[4-(2-t…
| 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) | 2.21 | 5.87 | -7.37 | 0 | 3 | 0 | 24 | 286.828 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.09 | -46.01 | 1 | 3 | 1 | 25 | 287.836 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
