In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 21 | Yes |
Popular Name: (1R)-1-(3-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1R)-1-(3-chlorophenyl)-1-[3-(tr…
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) | 4.95 | 6.93 | -47.15 | 3 | 2 | 1 | 37 | 316.73 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 6.68 | -3.64 | 2 | 2 | 0 | 35 | 315.722 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.