In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-yl-propanamide (2S)-N-[(1S)-1-(4-chlorophenyl)e…
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) | 1.71 | 4.09 | -41.91 | 3 | 4 | 1 | 49 | 296.822 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 2.74 | -7.67 | 2 | 4 | 0 | 44 | 295.814 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.