In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 24 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-[4-(4-propylphenoxy)phenyl]ethyl]-methyl-amino]ethanol 2-[[(1S)-2-amino-1-[4-(4-propylp…
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) | 3.16 | 5 | -55.04 | 4 | 4 | 1 | 60 | 329.464 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 6.5 | -38.98 | 4 | 4 | 1 | 60 | 329.464 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 7.03 | -131.84 | 5 | 4 | 2 | 62 | 330.472 | 9 | ↓ |