In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: (1S)-1-[2-(4-chloro-3-fluoro-phenyl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(4-chloro-3-fluoro-phe…
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) | 4.51 | 7.94 | -42.99 | 2 | 2 | 1 | 29 | 299.822 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.51 | 6.75 | -5.33 | 1 | 2 | 0 | 25 | 298.814 | 4 | ↓ |