In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 16 | Yes |
Popular Name: (1S)-1-(3-chloro-4-thiazol-2-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-chloro-4-thiazol-2-yls…
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) | 1.59 | 5.06 | -51.37 | 3 | 2 | 1 | 41 | 271.818 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 4.73 | -6.41 | 2 | 2 | 0 | 39 | 270.81 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.