| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 19 | No |
Popular Name: (2S)-3-chloro-2-methyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[4-(3-p…
| 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) | 1.07 | 4.91 | -8.55 | 0 | 4 | 0 | 36 | 281.787 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.07 | 7.12 | -50.27 | 1 | 4 | 1 | 38 | 282.795 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
