In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 16 | No |
Popular Name: N-[(1-methyltriazol-4-yl)methyl]-1,1-dioxo-thian-4-amine N-[(1-methyltriazol-4-yl)methyl]…
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) | -0.56 | 0.16 | -65.24 | 2 | 6 | 1 | 81 | 245.328 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.56 | -1.03 | -20.9 | 1 | 6 | 0 | 77 | 244.32 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.