In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-[(2R)-2-methylmorpholin-4-yl]butan-2-amine (1R,2S)-1-(5-bromo-2-thienyl)-1-…
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) | 2.71 | 4.06 | -46.57 | 3 | 3 | 1 | 40 | 334.303 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.71 | 3.72 | -2.13 | 2 | 3 | 0 | 38 | 333.295 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.71 | 5.86 | -120.29 | 4 | 3 | 2 | 41 | 335.311 | 4 | ↓ |