In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 17 | No |
Popular Name: (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(2-methylimidazol-1-yl…
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) | -0.34 | 3.55 | -122.17 | 3 | 5 | 2 | 70 | 259.375 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.34 | 2.35 | -39.95 | 2 | 5 | 1 | 65 | 258.367 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.34 | 1.87 | -16.43 | 1 | 5 | 0 | 64 | 257.359 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.34 | 3.08 | -70.4 | 2 | 5 | 1 | 69 | 258.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.