In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 22 | Yes |
Popular Name: N-[(3,4-dimethylphenyl)methyl]-N',N'-dimethyl-N-(4-pyridylmethyl)ethane-1,2-diamine N-[(3,4-dimethylphenyl)methyl]-N…
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 | 8.92 | -41.23 | 1 | 3 | 1 | 21 | 298.454 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.71 | 6.82 | -4.81 | 0 | 3 | 0 | 19 | 297.446 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 9.29 | -41.14 | 1 | 3 | 1 | 21 | 298.454 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.71 | 9.75 | -84.93 | 2 | 3 | 2 | 22 | 299.462 | 7 | ↓ |