In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 20 | No |
Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-methyl-4-quinolyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-meth…
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) | 3.61 | 4.76 | -8.6 | 0 | 4 | 0 | 52 | 332.201 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 5.16 | -33.67 | 1 | 4 | 1 | 53 | 333.209 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.