In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 17 | No |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-methyl-N1-[(3R)-tetrahydrothiophen-3-yl]propane-1,2-diamine (1R,2R)-1-(5-bromo-2-thienyl)-N1…
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) | 2.61 | 4.65 | -45.72 | 3 | 2 | 1 | 31 | 336.344 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.33 | -2.65 | 2 | 2 | 0 | 29 | 335.336 | 4 | ↓ |