In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 20 | Yes |
Popular Name: (2R)-3-[[(2S)-3-(3-aminophenoxy)-2-hydroxy-propyl]-ethyl-amino]-2-methyl-propanenitrile (2R)-3-[[(2S)-3-(3-aminophenoxy)…
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) | 1.34 | 4.43 | -51.5 | 4 | 5 | 1 | 84 | 278.376 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 2.36 | -9.79 | 3 | 5 | 0 | 83 | 277.368 | 8 | ↓ |