In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 21 | Yes |
Popular Name: N'-benzyl-N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-N'-methyl-propane-1,3-diamine N'-benzyl-N-[(1S)-1-(5-bromo-2-t…
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) | 4.59 | 10.06 | -38.68 | 2 | 2 | 1 | 16 | 368.364 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 11.27 | -113.63 | 3 | 2 | 2 | 21 | 369.372 | 8 | ↓ |