In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 19 | Yes |
Popular Name: 5-[(3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-methyl-thiazole 5-[(3-isopropyl-6,8-dihydro-5H-[…
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) | 0.66 | 7.9 | -56.84 | 1 | 5 | 1 | 48 | 278.405 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 5.65 | -15.29 | 0 | 5 | 0 | 47 | 277.397 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.