In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 22 | No |
Popular Name: N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(3S)-3-methyl-1-piperidyl]acetamide N-butyl-N-[(3R)-1,1-dioxothiolan…
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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) | 1.80 | 6.6 | -51.43 | 1 | 5 | 1 | 59 | 331.502 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.47 | -16.32 | 0 | 5 | 0 | 58 | 330.494 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.