In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-tert-butoxy-3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol (2S)-1-tert-butoxy-3-[[(2S)-1-et…
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) | 1.07 | 1.51 | -42.44 | 3 | 4 | 1 | 49 | 259.414 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 2.54 | -33.91 | 3 | 4 | 1 | 46 | 259.414 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 3.83 | -111.54 | 4 | 4 | 2 | 51 | 260.422 | 8 | ↓ |