In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 18 | Yes |
Popular Name: (4S)-1-[2-[3-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[3-(aminomethyl)phenox…
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) | 1.38 | 4.54 | -51.85 | 3 | 4 | 1 | 57 | 249.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 4.14 | -8.4 | 2 | 4 | 0 | 56 | 248.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.