In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: (2S)-1-(isobutylamino)-2-[4-(3-methylphenoxy)phenyl]propan-2-ol (2S)-1-(isobutylamino)-2-[4-(3-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) | 4.44 | 8.56 | -49.4 | 3 | 3 | 1 | 46 | 314.449 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.44 | 7.42 | -6.29 | 2 | 3 | 0 | 41 | 313.441 | 7 | ↓ |