In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2011 | 18 | Yes |
Popular Name: N,N-diethyl-2-[5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-methylp…
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) | 1.51 | 4.48 | -88.33 | 3 | 5 | 2 | 60 | 254.378 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.51 | 2.37 | -45.11 | 2 | 5 | 1 | 59 | 253.37 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.