In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 17 | Yes |
Popular Name: [(2S)-2-piperidyl]-(4-propylpiperazin-1-yl)methanone [(2S)-2-piperidyl]-(4-propylpipe…
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) | 1.11 | 3.49 | -37.26 | 2 | 4 | 1 | 40 | 240.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 2.22 | -7.37 | 1 | 4 | 0 | 36 | 239.363 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 5.79 | -93.67 | 3 | 4 | 2 | 41 | 241.379 | 3 | ↓ |