In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | Yes |
Popular Name: [(2S,6S)-6-methyl-2-piperidyl]-(4-propylpiperazin-1-yl)methanone [(2S,6S)-6-methyl-2-piperidyl]-(…
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) | 1.44 | 4.17 | -35.32 | 2 | 4 | 1 | 40 | 254.398 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 2.95 | -7.19 | 1 | 4 | 0 | 36 | 253.39 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 6.47 | -92.91 | 3 | 4 | 2 | 41 | 255.406 | 3 | ↓ |