In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 26th, 2010 | 29 | No |
Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide N-[5-(1-ethylpropyl)-1,3,4-thiad…
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) | 4.14 | 12.26 | -21.02 | 1 | 8 | 0 | 104 | 417.535 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 10.58 | -49.65 | 0 | 8 | -1 | 110 | 416.527 | 7 | ↓ |