In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | Yes |
Popular Name: (1S,2R,4R)-N2-ethyl-4-phenyl-N2-propyl-cyclohexane-1,2-diamine (1S,2R,4R)-N2-ethyl-4-phenyl-N2-…
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) | 3.19 | 8.75 | -124.42 | 4 | 2 | 2 | 32 | 262.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 8.48 | -32.51 | 3 | 2 | 1 | 30 | 261.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 6.77 | -42.65 | 3 | 2 | 1 | 31 | 261.433 | 5 | ↓ |