In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(1S)-1-methylbutyl]ethane-1,2-diamine (1R)-1-[4-(difluoromethoxy)pheny…
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) | 3.11 | 6.35 | -127.4 | 4 | 3 | 2 | 41 | 288.382 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 4.08 | -47.64 | 3 | 3 | 1 | 40 | 287.374 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 6.08 | -32.5 | 3 | 3 | 1 | 40 | 287.374 | 8 | ↓ |