In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 19 | Yes |
Popular Name: (1S)-N'-[(2S,6R)-2,6-dimethylcyclohexyl]-1-(2-furyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-[(2S,6R)-2,6-dimethylcyc…
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) | 3.35 | 7.06 | -32.27 | 2 | 3 | 1 | 33 | 265.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 6.31 | -1.73 | 1 | 3 | 0 | 28 | 264.413 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 8.39 | -30.63 | 2 | 3 | 1 | 30 | 265.421 | 5 | ↓ |