In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | Yes |
Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]piperidine-1-sulfonamide N-[(1S)-1-(3-chloro-4-fluoro-phe…
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) | 3.11 | 4.86 | -9.25 | 1 | 4 | 0 | 49 | 320.817 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 4.84 | -36.58 | 0 | 4 | -1 | 51 | 319.809 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.