In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-morpholino-butan-2-amine (1S,2R)-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) | 2.34 | 3.33 | -46.35 | 3 | 3 | 1 | 40 | 320.276 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 3.03 | -2.57 | 2 | 3 | 0 | 38 | 319.268 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 5.11 | -119.41 | 4 | 3 | 2 | 41 | 321.284 | 4 | ↓ |