In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2004 | 26 | Yes |
Popular Name: [(1S)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium [(1S)-1-[5-[(4-fluorobenzyl)thio…
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) | 1.37 | 4.36 | -44.52 | 4 | 5 | 1 | 82 | 369.445 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 4.05 | -9.58 | 3 | 5 | 0 | 81 | 368.437 | 6 | ↓ |