In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 19 | Yes |
Popular Name: 4-[(1S)-1-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1S)-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) | 4.47 | 9.51 | -50.06 | 2 | 2 | 1 | 40 | 291.827 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 8.58 | -6.27 | 1 | 2 | 0 | 36 | 290.819 | 4 | ↓ |