In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | Yes |
Popular Name: (2S)-N,N-diethyl-2-[[(1R)-1-(2-methylthiazol-4-yl)ethyl]amino]propanamide (2S)-N,N-diethyl-2-[[(1R)-1-(2-m…
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) | 1.37 | 5.73 | -31.91 | 2 | 4 | 1 | 50 | 270.422 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 4.52 | -11.65 | 1 | 4 | 0 | 45 | 269.414 | 6 | ↓ |