In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 19 | Yes |
Popular Name: (7S)-2-(3-chloro-2-fluoro-phenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(3-chloro-2-fluoro-phenyl…
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) | 4.34 | 7.75 | -46.56 | 2 | 2 | 1 | 29 | 297.806 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 6.32 | -10.02 | 1 | 2 | 0 | 25 | 296.798 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.