In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 16 | No |
Popular Name: 1-[2-(aminomethyl)-3-fluoro-phenyl]pyrrolidine-2,5-dione 1-[2-(aminomethyl)-3-fluoro-phen…
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) | -0.59 | 3.59 | -41.35 | 3 | 4 | 1 | 65 | 223.227 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.59 | 3.12 | -12.38 | 2 | 4 | 0 | 63 | 222.219 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.