| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 23 | Yes |
Popular Name: (3S,5S)-N-(3-chlorophenyl)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazine-1-carboxamide (3S,5S)-N-(3-chlorophenyl)-4-(2-…
| 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) | 2.93 | 7.61 | -42.7 | 2 | 5 | 1 | 40 | 339.891 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 5.13 | -6.65 | 1 | 5 | 0 | 39 | 338.883 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 9.58 | -118.51 | 3 | 5 | 2 | 41 | 340.899 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
