In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 18 | Yes |
Popular Name: (1S)-N,N-dimethyl-N'-[(1S,2S)-2-methylcyclohexyl]-1-(2-thienyl)ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(1S,2S)-2-…
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) | 3.76 | 6.98 | -35.24 | 2 | 2 | 1 | 20 | 267.462 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 9.23 | -110.34 | 3 | 2 | 2 | 21 | 268.47 | 5 | ↓ |