In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 16 | Yes |
Popular Name: 1,2,4-Triazin-3(2H)-one, 5-[(2,4-dimethylphenyl)amino]- (9CI) 1,2,4-Triazin-3(2H)-one, 5-[(2,4…
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CAS Number: 780755-47-7
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) | 1.87 | -2.38 | -15.32 | 2 | 5 | 0 | 71 | 216.244 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.