In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: (2S,6R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethyl-cyclohexanamine (2S,6R)-N-[[(2S)-1-ethylpyrrolid…
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) | 3.28 | 7.26 | -31.44 | 2 | 2 | 1 | 20 | 239.427 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 7.97 | -29.32 | 2 | 2 | 1 | 16 | 239.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 9.03 | -109.56 | 3 | 2 | 2 | 21 | 240.435 | 4 | ↓ |