In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: (1R)-N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1R)-N-[(1S)-1-(2,6-difluorophen…
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) | 4.28 | 9.95 | -30.21 | 2 | 1 | 1 | 17 | 296.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.28 | 9.49 | -4.94 | 1 | 1 | 0 | 12 | 295.398 | 4 | ↓ |