In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(4-chloro-3-fluoro-phenyl)-N-ethyl-N-(4-pyridylmethyl)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) | 1.98 | 4.72 | -59.6 | 3 | 3 | 1 | 44 | 308.808 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 6.99 | -151.91 | 4 | 3 | 2 | 45 | 309.816 | 6 | ↓ |