In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4S)-N2-(cyclopropylmethyl)-N1,N2-dimethyl-4-phenyl-cyclohexane-1,2-diamine (1S,2S,4S)-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) | 3.71 | 10.47 | -120.54 | 3 | 2 | 2 | 21 | 274.452 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 8.56 | -37.82 | 2 | 2 | 1 | 20 | 273.444 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 9.32 | -31.65 | 2 | 2 | 1 | 16 | 273.444 | 5 | ↓ |