In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 21 | Yes |
Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…
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) | 1.43 | 7.37 | -46.9 | 3 | 3 | 1 | 46 | 304.435 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 7.04 | -7.51 | 2 | 3 | 0 | 44 | 303.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.