In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | Yes |
Popular Name: 2-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-3-methyl-quinoxaline 2-[[(3R)-4-(2-methoxyethyl)-3-me…
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) | 2.20 | 4.99 | -38.52 | 1 | 5 | 1 | 43 | 315.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 2.83 | -9.39 | 0 | 5 | 0 | 41 | 314.433 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 5.05 | -38.29 | 1 | 5 | 1 | 43 | 315.441 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.