In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 18 | Yes |
Popular Name: (1R)-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(2-chlorophenyl)-1-(5,6-d…
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) | 2.42 | 8.55 | -40.55 | 3 | 1 | 1 | 28 | 278.828 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 8.24 | -4.48 | 2 | 1 | 0 | 26 | 277.82 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.