| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: N',N'-dimethyl-N-[(3-methyl-2-thienyl)methyl]-N-(3-pyridylmethyl)ethane-1,2-diamine N',N'-dimethyl-N-[(3-methyl-2-th…
| 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) | 2.21 | 7.45 | -43.25 | 1 | 3 | 1 | 21 | 290.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 4.99 | -5.44 | 0 | 3 | 0 | 19 | 289.448 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.28 | -88.86 | 2 | 3 | 2 | 22 | 291.464 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
