In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 18 | Yes |
Popular Name: (S)-(5-bromo-2-thienyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine (S)-(5-bromo-2-thienyl)-(5,6,7,8…
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) | 5.31 | 7.97 | -3.32 | 2 | 1 | 0 | 26 | 342.327 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.31 | 8.31 | -43.46 | 3 | 1 | 1 | 28 | 343.335 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.