| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (1S,2S)-2-[(5-bromo-2-pyridyl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(5-bromo-2-pyridyl)me…
| 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) | 2.36 | 4.95 | -9.72 | 1 | 3 | 0 | 49 | 280.169 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 6.12 | -51.65 | 2 | 3 | 1 | 53 | 281.177 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
