In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 17 | No |
Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-1-(3-methyl-2-thienyl)et…
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) | 2.12 | 3.89 | -52.28 | 2 | 3 | 1 | 51 | 274.431 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 2.83 | -11.76 | 1 | 3 | 0 | 46 | 273.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.