In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 16 | Yes |
Popular Name: (2R)-4-(2-methylallyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine (2R)-4-(2-methylallyl)-2-(1,2,4-…
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) | 0.52 | 5.09 | -8.62 | 0 | 5 | 0 | 43 | 222.292 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.52 | 7.33 | -42.91 | 1 | 5 | 1 | 44 | 223.3 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.