In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 21 | Yes |
Popular Name: (2S)-1-amino-2-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]propan-2-ol (2S)-1-amino-2-[4-(4-chloro-3,5-…
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) | 3.70 | 5.37 | -57.08 | 4 | 3 | 1 | 57 | 306.813 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 5.04 | -6.2 | 3 | 3 | 0 | 55 | 305.805 | 4 | ↓ |