In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-[(2R)-2-phenylpyrrolidin-1-yl]propan-2-amine (1S,2R)-1-(4-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) | 3.75 | 7.69 | -116.56 | 4 | 2 | 2 | 32 | 367.356 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 6.46 | -1.73 | 2 | 2 | 0 | 29 | 365.34 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 6.89 | -36.56 | 3 | 2 | 1 | 31 | 366.348 | 4 | ↓ |