In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 20 | Yes |
Popular Name: 6-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-N4,N4-dimethyl-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) | 0.11 | 4.57 | -57.42 | 5 | 9 | 1 | 126 | 278.344 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.11 | 4.36 | -13.42 | 4 | 9 | 0 | 125 | 277.336 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 4.94 | -98.17 | 6 | 9 | 2 | 128 | 279.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.