In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1S,2S)-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1S)-1-(2,5-dimethylt…
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) | 3.86 | 7.83 | -32.62 | 2 | 2 | 1 | 29 | 307.405 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 7.28 | -6.09 | 1 | 2 | 0 | 25 | 306.397 | 4 | ↓ |