In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | Yes |
Popular Name: (1S)-N-cyclohexyl-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-cyclohexyl-N-methyl-1-(3-…
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) | 2.22 | 4.06 | -44.26 | 3 | 2 | 1 | 31 | 239.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 5.65 | -30.74 | 3 | 2 | 1 | 30 | 239.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 6.17 | -117.6 | 4 | 2 | 2 | 32 | 240.416 | 4 | ↓ |