In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 16 | Yes |
Popular Name: (1S)-1-[5-(5-bromo-3-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-bromo-3-pyridyl)-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) | -0.39 | -1.15 | -46.27 | 3 | 5 | 1 | 79 | 284.137 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.39 | -1.51 | -6.03 | 2 | 5 | 0 | 78 | 283.129 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.