In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | No |
Popular Name: (2R)-1-[2-[4-(2-amino-2-thioxo-ethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide (2R)-1-[2-[4-(2-amino-2-thioxo-e…
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) | 0.80 | 3.54 | -43.5 | 5 | 5 | 1 | 83 | 308.427 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.56 | 2.16 | -37.5 | 4 | 5 | 0 | 87 | 307.419 | 7 | ↓ |