| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 24 | No |
Popular Name: (3S)-3-methyl-N-(3-nitro-4-pyridyl)-1-oxo-isochromane-3-carboxamide (3S)-3-methyl-N-(3-nitro-4-pyrid…
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) | 1.82 | 7.32 | -11.85 | 1 | 8 | 0 | 114 | 327.296 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 6.23 | -41.58 | 0 | 8 | -1 | 120 | 326.288 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
