In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 14 | Yes |
Popular Name: 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 5-methyl-6-(1H-1,2,4-triazol-5-y…
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) | 1.14 | 3.26 | -9.7 | 3 | 5 | 0 | 80 | 207.262 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 2.88 | -48.57 | 2 | 5 | -1 | 79 | 206.254 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.