In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 16 | Yes |
Popular Name: (S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (S)-(5-bromo-2-thienyl)-(5,6-dih…
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) | 4.29 | 6.87 | -3.97 | 2 | 1 | 0 | 26 | 314.273 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 7.21 | -44.08 | 3 | 1 | 1 | 28 | 315.281 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.