In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 21 | Yes |
Popular Name: N-[(R)-(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine N-[(R)-(3,4-dimethylphenyl)-(4,5…
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) | 4.38 | 9.86 | -33.33 | 2 | 2 | 1 | 29 | 301.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 8.73 | -5.3 | 1 | 2 | 0 | 25 | 300.471 | 4 | ↓ |