In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 22 | Yes |
Popular Name: (1R)-1-(4-fluorophenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine (1R)-1-(4-fluorophenyl)-N,N-dime…
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) | 3.05 | 9.6 | -49.8 | 2 | 4 | 1 | 42 | 317.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 7.07 | -8.42 | 1 | 4 | 0 | 41 | 316.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.