In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 27 | Yes |
Popular Name: N-[1-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl]-4-piperidyl]-2-cyclopentyl-acetamide N-[1-[2-[bis(2-cyanoethyl)amino]…
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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) | 0.16 | 9.65 | -63.3 | 2 | 7 | 1 | 101 | 374.509 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 7.45 | -21.79 | 1 | 7 | 0 | 100 | 373.501 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.