In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 30 | Yes |
Popular Name: N-[(1S)-1-benzyl-2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]pentanamide N-[(1S)-1-benzyl-2-[[5-(4-chloro…
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) | 5.27 | 10.46 | -14.75 | 2 | 6 | 0 | 84 | 442.972 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.46 | 8.57 | -42.2 | 1 | 6 | -1 | 90 | 441.964 | 9 | ↓ |