In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 22 | Yes |
Popular Name: 4-[(1R)-2-amino-1-[(2S)-2-ethyl-1-piperidyl]ethyl]-2-chloro-6-ethoxy-phenol 4-[(1R)-2-amino-1-[(2S)-2-ethyl-…
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) | 3.05 | 4.26 | -55.82 | 4 | 4 | 1 | 60 | 327.876 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 5.18 | -79.42 | 3 | 4 | 0 | 63 | 326.868 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 6.79 | -49.55 | 3 | 4 | 0 | 63 | 326.868 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 6.89 | -131.82 | 4 | 4 | 1 | 64 | 327.876 | 6 | ↓ |