In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(5,6-dihydro-4H-cyclop…
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) | 3.10 | 8.5 | -48.54 | 2 | 2 | 1 | 40 | 247.387 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 7.33 | -7.93 | 1 | 2 | 0 | 36 | 246.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.