In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2009 | 21 | Yes |
Popular Name: 2-[[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-methyl-amino]-N-isopropyl-acetamide 2-[[(2S)-3-(4-chlorophenoxy)-2-h…
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) | 2.34 | 4.41 | -45.59 | 3 | 5 | 1 | 63 | 315.821 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 2.17 | -13.39 | 2 | 5 | 0 | 62 | 314.813 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 2.63 | -49.98 | 3 | 5 | 1 | 66 | 315.821 | 8 | ↓ |