In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 4th, 2011 | 22 | No |
Popular Name: 2-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]acetonitrile 2-[(4-ethyl-3-morpholino-5-thiox…
None
None
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) | 0.84 | 8.14 | -14.27 | 0 | 7 | 0 | 62 | 324.454 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.