In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 24 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[1-(2-thienylsulfonyl)-4-piperidyl]ethanone 1-(4-methylpiperazin-1-yl)-2-[1-…
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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) | 1.67 | 6.18 | -49.63 | 1 | 6 | 1 | 62 | 372.536 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 3.83 | -13.86 | 0 | 6 | 0 | 61 | 371.528 | 4 | ↓ |