In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 21 | Yes |
Popular Name: N-[(1S)-1-[5-(5-quinolyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[(1S)-1-[5-(5-quinolyl)-1,3,4-…
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) | 2.62 | 3.38 | -44.38 | 2 | 5 | 1 | 68 | 283.355 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 2.2 | -9.54 | 1 | 5 | 0 | 64 | 282.347 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.