In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 19 | Yes |
Popular Name: (2R)-1-(5-chloro-2-thienyl)-2-[2-dimethylaminoethyl(propyl)amino]propan-1-one (2R)-1-(5-chloro-2-thienyl)-2-[2…
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) | 3.43 | 7.61 | -39.81 | 1 | 3 | 1 | 25 | 303.879 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 5.13 | -4.43 | 0 | 3 | 0 | 24 | 302.871 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 9.69 | -114.36 | 2 | 3 | 2 | 26 | 304.887 | 8 | ↓ |