In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 20 | Yes |
Popular Name: N-[(1S)-1-[2-(5-chloro-2-fluoro-phenyl)-4-methyl-thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(5-chloro-2-fluoro-…
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) | 5.01 | 8.85 | -41.46 | 2 | 2 | 1 | 29 | 313.849 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.01 | 7.66 | -6.41 | 1 | 2 | 0 | 25 | 312.841 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.