In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 21 | Yes |
Popular Name: (1R)-N-[(1S)-1-cyclopropylethyl]-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (1R)-N-[(1S)-1-cyclopropylethyl]…
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) | 2.85 | 6.71 | -120.41 | 4 | 3 | 2 | 41 | 304.356 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 6.69 | -29.67 | 3 | 3 | 1 | 40 | 303.348 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 4.92 | -42.91 | 3 | 3 | 1 | 40 | 303.348 | 7 | ↓ |