In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | Yes |
Popular Name: N'-[(1S)-1,2-bis(2-thienyl)ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[(1S)-1,2-bis(2-thienyl)ethyl…
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) | 3.31 | 7.93 | -33.94 | 2 | 2 | 1 | 16 | 281.47 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 5.46 | -3.07 | 1 | 2 | 0 | 15 | 280.462 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 9.13 | -105.91 | 3 | 2 | 2 | 21 | 282.478 | 7 | ↓ |