In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 18 | Yes |
Popular Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[(2S)-2-methyl-1-piperidyl]ethanone 1-[(2S)-2-ethyl-1-piperidyl]-2-[…
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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) | 2.70 | 8.73 | -32.45 | 1 | 3 | 1 | 25 | 253.41 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 6.7 | -6.22 | 0 | 3 | 0 | 24 | 252.402 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.