In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 24 | Yes |
Popular Name: 1-(2,4-dimethoxyphenyl)-N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine 1-(2,4-dimethoxyphenyl)-N-[[4-(1…
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) | 2.71 | 6.56 | -44.28 | 2 | 5 | 1 | 54 | 330.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.71 | 5.17 | -7.68 | 1 | 5 | 0 | 49 | 329.396 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.