In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 20 | Yes |
Popular Name: 4-amino-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(2S)-2-(dimethylamino…
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) | 1.05 | 3.68 | -44.74 | 4 | 7 | 1 | 98 | 276.32 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 1.14 | -5.66 | 3 | 7 | 0 | 97 | 275.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.