In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 22 | Yes |
Popular Name: (2S)-1-(isopropylamino)-2-[4-(4-methylphenoxy)phenyl]propan-2-ol (2S)-1-(isopropylamino)-2-[4-(4-…
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) | 4.37 | 7.68 | -46.8 | 3 | 3 | 1 | 46 | 300.422 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 6.64 | -6.22 | 2 | 3 | 0 | 41 | 299.414 | 6 | ↓ |