In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-(3-chlorophenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol (2S)-1-(3-chlorophenoxy)-3-[[(2R…
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) | 2.23 | 6.45 | -121.29 | 4 | 4 | 2 | 51 | 314.857 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 2.95 | -6.11 | 2 | 4 | 0 | 45 | 312.841 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 5.2 | -32.98 | 3 | 4 | 1 | 46 | 313.849 | 8 | ↓ |