In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2011 | 16 | No |
Popular Name: 3-Thiophen-2-yl-1,4,8-triaza-spiro[4.5]dec-3-ene-2-thione 3-Thiophen-2-yl-1,4,8-triaza-spi…
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) | 1.73 | 2.41 | -52.99 | 3 | 3 | 1 | 43 | 252.388 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 1.1 | -6.23 | 2 | 3 | 0 | 38 | 251.38 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.