In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 16 | Yes |
Popular Name: (2S)-1-[(5-chloro-2-thienyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(5-chloro-2-thienyl)meth…
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) | 1.94 | 5.69 | -39.22 | 2 | 3 | 1 | 34 | 259.782 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 3.48 | -10.39 | 1 | 3 | 0 | 32 | 258.774 | 3 | ↓ |