In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-1-cyclohexyl-N-ethyl-N-isopropyl-ethane-1,2-diamine (1S)-1-cyclohexyl-N-ethyl-N-isop…
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) | 2.47 | 4.28 | -41.48 | 3 | 2 | 1 | 31 | 213.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 6.05 | -26.4 | 3 | 2 | 1 | 30 | 213.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 5.93 | -114.74 | 4 | 2 | 2 | 32 | 214.397 | 5 | ↓ |