In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1R,2R)-N1-(2-dimethylaminoethyl)-1-(4-fluorophenyl)-N1-propyl-butane-1,2-diamine (1R,2R)-N1-(2-dimethylaminoethyl…
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) | 2.74 | 7.16 | -115.23 | 4 | 3 | 2 | 35 | 297.462 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 6.07 | -34.83 | 3 | 3 | 1 | 34 | 296.454 | 9 | ↓ |