In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(4-chlorophenyl)-N1-(cyclohexylmethyl)-N1-methyl-propane-1,2-diamine (1R,2S)-1-(4-chlorophenyl)-N1-(c…
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) | 4.10 | 9.77 | -127.96 | 4 | 2 | 2 | 32 | 296.886 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.10 | 9.43 | -38.45 | 3 | 2 | 1 | 30 | 295.878 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 7.42 | -45.01 | 3 | 2 | 1 | 31 | 295.878 | 5 | ↓ |