| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (1S)-N,N-dibutyl-1-(5-chloro-2-thienyl)ethane-1,2-diamine (1S)-N,N-dibutyl-1-(5-chloro-2-t…
| 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) | 4.31 | 6.47 | -47.26 | 3 | 2 | 1 | 31 | 289.896 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 6.35 | -1.99 | 2 | 2 | 0 | 29 | 288.888 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.31 | 8.18 | -131.53 | 4 | 2 | 2 | 32 | 290.904 | 9 | ↓ |
