In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 18 | Yes |
Popular Name: N-[(1R)-2-(2-methylthiazol-4-yl)-1-pyrazin-2-yl-ethyl]propan-1-amine N-[(1R)-2-(2-methylthiazol-4-yl)…
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) | 1.78 | 5.5 | -29.45 | 2 | 4 | 1 | 55 | 263.39 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 3.98 | -6.17 | 1 | 4 | 0 | 51 | 262.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.