In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2S,4R)-N2-(cyclopropylmethyl)-N1-ethyl-N2-methyl-4-phenyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-(cyclopropylmethyl…
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) | 4.09 | 11.73 | -115.75 | 3 | 2 | 2 | 21 | 288.479 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 10.22 | -39.35 | 2 | 2 | 1 | 20 | 287.471 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 10.65 | -34.09 | 2 | 2 | 1 | 16 | 287.471 | 6 | ↓ |