In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (1S,2S)-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1S)-1-(3-chloro-4-fl…
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) | 3.39 | 11.07 | -114.97 | 3 | 3 | 2 | 36 | 309.816 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 9.43 | -7.36 | 1 | 3 | 0 | 30 | 307.8 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 10.33 | -55.77 | 2 | 3 | 1 | 34 | 308.808 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.