In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 18 | Yes |
Popular Name: 6-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[4-(1-amino-1-methyl-ethyl)tr…
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) | -1.04 | 1.48 | -57.4 | 7 | 9 | 1 | 149 | 250.29 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.04 | 1.22 | -13.51 | 6 | 9 | 0 | 147 | 249.282 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.