| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: N-[(S)-(3,4-dimethylphenyl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(3,4-dimethylphenyl)-pyri…
| 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) | 2.44 | 7.27 | -31.72 | 2 | 3 | 1 | 42 | 242.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.1 | -6.48 | 1 | 3 | 0 | 38 | 241.338 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
