| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(3-fluoro-4-methoxy-pheny…
| 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) | 1.16 | 5.19 | -38.05 | 2 | 5 | 0 | 66 | 250.277 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 4.23 | -10.53 | 2 | 5 | 0 | 63 | 250.277 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 5.32 | -54.61 | 3 | 5 | 1 | 67 | 251.285 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
