In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 18 | Yes |
Popular Name: (1S)-1-[5-(benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(benzothiophen-2-yl)-1…
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) | 0.82 | 1.45 | -45.36 | 3 | 4 | 1 | 67 | 260.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 1.13 | -7.05 | 2 | 4 | 0 | 65 | 259.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.