In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 17 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(5-bromo-2-thienyl)ethyl]-methyl-amino]-N,N-dimethyl-acetamide 2-[[(1R)-2-amino-1-(5-bromo-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) | 0.47 | 3.16 | -48.04 | 3 | 4 | 1 | 51 | 321.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.47 | 2.28 | -9.33 | 2 | 4 | 0 | 50 | 320.256 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.47 | 4.44 | -133.42 | 4 | 4 | 2 | 52 | 322.272 | 5 | ↓ |