In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2011 | 19 | No |
Popular Name: 8-methyl-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione 8-methyl-3-(3-methylphenyl)-1,4,…
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) | 2.85 | 6.23 | -47.29 | 2 | 3 | 1 | 31 | 274.413 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 3.87 | -6.12 | 1 | 3 | 0 | 30 | 273.405 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.