In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | Yes |
Popular Name: (2S)-N1-[3-(4-chlorophenyl)cyclobutyl]-N2,N2,3-trimethyl-butane-1,2-diamine (2S)-N1-[3-(4-chlorophenyl)cyclo…
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) | 4.37 | 8.87 | -42.3 | 2 | 2 | 1 | 20 | 295.878 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 9.09 | -34.76 | 2 | 2 | 1 | 16 | 295.878 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 10.05 | -124.55 | 3 | 2 | 2 | 21 | 296.886 | 6 | ↓ |