In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 26 | No |
Popular Name: N-(2-dimethylaminoethyl)-N'-[[1-(pyrazine-2-carbonyl)-4-piperidyl]methyl]oxamide N-(2-dimethylaminoethyl)-N'-[[1-…
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) | -1.08 | 2.48 | -48.54 | 3 | 9 | 1 | 109 | 363.442 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.89 | 1.2 | -54.19 | 2 | 9 | 0 | 115 | 362.434 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.