In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 32 | Yes |
Popular Name: N-[(1S)-1-benzyl-2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]heptanamide 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) | 6.28 | 12.02 | -14.65 | 2 | 6 | 0 | 84 | 471.026 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.47 | 10.13 | -42.1 | 1 | 6 | -1 | 90 | 470.018 | 11 | ↓ |