In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (3S)-4,4,4-trifluoro-N3-methyl-N3-[[(2R)-tetrahydropyran-2-yl]methyl]butane-1,3-diamine (3S)-4,4,4-trifluoro-N3-methyl-N…
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) | 1.21 | 2.02 | -44.23 | 3 | 3 | 1 | 40 | 255.304 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 3.85 | -110.7 | 4 | 3 | 2 | 41 | 256.312 | 6 | ↓ |