In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | Yes |
Popular Name: 2-[[(3R)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]-5-methyl-pyrazine 2-[[(3R)-4-(2-ethoxyethyl)-3-eth…
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) | 1.61 | 4.87 | -34.52 | 1 | 5 | 1 | 43 | 293.435 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 2.72 | -6.31 | 0 | 5 | 0 | 41 | 292.427 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 4.97 | -34.76 | 1 | 5 | 1 | 43 | 293.435 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.