In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 20 | Yes |
Popular Name: (2S)-1-amino-2-[4-(4-chloro-3-methyl-phenoxy)phenyl]propan-2-ol (2S)-1-amino-2-[4-(4-chloro-3-me…
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) | 3.32 | 4.86 | -56.69 | 4 | 3 | 1 | 57 | 292.786 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 4.55 | -5.99 | 3 | 3 | 0 | 55 | 291.778 | 4 | ↓ |