| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 25 | Yes |
Popular Name: 4-isoindolin-2-yl-N-(3-pyridylmethyl)pyridine-2-carboxamide 4-isoindolin-2-yl-N-(3-pyridylme…
| 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) | 1.55 | 7.51 | -38.36 | 2 | 5 | 1 | 59 | 331.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 7.04 | -10.12 | 1 | 5 | 0 | 58 | 330.391 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 7.97 | -90.35 | 3 | 5 | 2 | 61 | 332.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
