| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: N-[(1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(1,2,4-tri…
| 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) | 2.55 | 9.85 | -52.1 | 2 | 4 | 1 | 47 | 265.768 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 8.75 | -8.73 | 1 | 4 | 0 | 43 | 264.76 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
