| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 16 | Yes |
Popular Name: 2-(cyanomethylsulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta[e]pyridine-3-carbonitrile 2-(cyanomethylsulfanyl)-4-methyl…
| 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) | 2.38 | 7.19 | -9.69 | 0 | 3 | 0 | 60 | 229.308 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 7.4 | -44.4 | 1 | 3 | 1 | 62 | 230.316 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
