In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(4-chloro-3-fluoro-phenyl)-N-(1-ethylpropyl)-N-(2-methoxyethyl)ethane-1,2-diamine (1R)-1-(4-chloro-3-fluoro-phenyl…
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) | 3.23 | 6.06 | -47.7 | 3 | 3 | 1 | 40 | 317.856 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 6.7 | -35.06 | 3 | 3 | 1 | 40 | 317.856 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 7.06 | -136.93 | 4 | 3 | 2 | 41 | 318.864 | 9 | ↓ |