| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 20 | Yes |
Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-[(1S,3S)-3-methylcyclohexyl]su…
| 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) | 3.95 | 10.32 | -51.82 | 0 | 3 | -1 | 53 | 290.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 10.53 | -36.56 | 1 | 3 | 0 | 54 | 291.416 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
