In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | Yes |
Popular Name: 2-Phenyl-1-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-ethylamine 2-Phenyl-1-(3-pyridin-2-yl-[1,2,…
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) | 0.19 | 3.72 | -53.64 | 3 | 5 | 1 | 79 | 267.312 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.19 | 3.38 | -9.73 | 2 | 5 | 0 | 78 | 266.304 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.19 | 4.26 | -99.04 | 4 | 5 | 2 | 81 | 268.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.