In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 15 | Yes |
Popular Name: N-[(5-ethyl-2-thienyl)methyl]-N',N'-dimethyl-propane-1,3-diamine N-[(5-ethyl-2-thienyl)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) | 2.49 | 6.72 | -35.17 | 2 | 2 | 1 | 16 | 227.397 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 8.14 | -103.63 | 3 | 2 | 2 | 21 | 228.405 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 5.61 | -40.33 | 2 | 2 | 1 | 20 | 227.397 | 7 | ↓ |