In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 17 | Yes |
Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-pyrazol-1-yl-ethanamine N-(5,6-dihydro-4H-cyclopenta[b]t…
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) | 2.13 | 7.39 | -44.99 | 2 | 3 | 1 | 34 | 248.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 6.03 | -6.5 | 1 | 3 | 0 | 30 | 247.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.