In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 24 | Yes |
Popular Name: 7-[[(4-isopropyl-1,2,4-triazol-3-yl)methyl-methyl-amino]methyl]-4-methyl-chromen-2-one 7-[[(4-isopropyl-1,2,4-triazol-3…
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) | 1.94 | 10.08 | -18.1 | 0 | 6 | 0 | 64 | 326.4 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 12.37 | -60.94 | 1 | 6 | 1 | 65 | 327.408 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.