In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 18 | Yes |
Popular Name: (2S)-1-[(5-bromo-2-thienyl)methyl]-N-cyclopropyl-pyrrolidine-2-carboxamide (2S)-1-[(5-bromo-2-thienyl)methy…
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) | 2.44 | 7.46 | -40.65 | 2 | 3 | 1 | 34 | 330.271 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 5.57 | -10.85 | 1 | 3 | 0 | 32 | 329.263 | 4 | ↓ |