In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 20 | Yes |
Popular Name: 2-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R,2R,4S)-2,4-dimethylcycl…
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) | 2.56 | 6.38 | -52.78 | 3 | 4 | 1 | 62 | 292.428 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 4.87 | -20.84 | 2 | 4 | 0 | 58 | 291.42 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 3.76 | -45.71 | 2 | 4 | 0 | 65 | 291.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.