In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 20 | Yes |
Popular Name: 2-[[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]methyl]-5-methyl-pyrazine 2-[[(3S)-4-(2-ethoxyethyl)-3-met…
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 | 4.36 | -32.58 | 1 | 5 | 1 | 43 | 279.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 2.13 | -6.51 | 0 | 5 | 0 | 41 | 278.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 4.39 | -36.85 | 1 | 5 | 1 | 43 | 279.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.