In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(1-phenylcyclopropyl)-…
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) | 0.98 | 5.79 | -49.3 | 3 | 4 | 1 | 67 | 258.345 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 5.45 | -7.02 | 2 | 4 | 0 | 65 | 257.337 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.