In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2011 | 23 | Yes |
Popular Name: 1-[(3S)-3-(dimethylamino)-1-piperidyl]-2-[methyl(7H-purin-6-yl)amino]ethanone 1-[(3S)-3-(dimethylamino)-1-pipe…
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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) | 0.62 | 9.12 | -46.49 | 2 | 8 | 1 | 82 | 318.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.