In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | Yes |
Popular Name: N-[(3S)-3-hydroxybutyl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide N-[(3S)-3-hydroxybutyl]-2-(5-iso…
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) | 1.25 | 0.34 | -14.73 | 2 | 7 | 0 | 97 | 341.367 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 0.81 | -42.31 | 3 | 7 | 1 | 99 | 342.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.