| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | No |
Popular Name: (3S)-3-methyl-1-oxo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]isochromane-3-carboxamide (3S)-3-methyl-1-oxo-N-[5-(triflu…
None
| 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) | 1.96 | 6.76 | -45.36 | 1 | 7 | -1 | 103 | 339.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 7.72 | -46.55 | 1 | 7 | -1 | 95 | 339.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
