In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2009 | 19 | Yes |
Popular Name: N-[2-[5-(4-aminobutyl)-2-thienyl]ethyl]-N'-(2-aminoethyl)ethane-1,2-diamine N-[2-[5-(4-aminobutyl)-2-thienyl…
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) | -0.55 | 1.61 | -159.03 | 9 | 4 | 3 | 84 | 287.497 | 12 | ↓ |
Hi High (pH 8-9.5) | -0.55 | 0.21 | -92.61 | 8 | 4 | 2 | 79 | 286.489 | 12 | ↓ |