In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 24 | Yes |
Popular Name: 5-chloro-7-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]benzofuran-2-carboxylic 5-chloro-7-[3-[(1S)-1-(dimethyla…
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) | 4.79 | 12.53 | -72.43 | 1 | 4 | 0 | 58 | 343.81 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.79 | 10.32 | -46.99 | 0 | 4 | -1 | 57 | 342.802 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.