In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 26 | No |
Popular Name: N-[(1S)-2-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide N-[(1S)-2-[(5-isobutyl-1,3,4-thi…
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) | 1.95 | 6.85 | -20.26 | 2 | 9 | 0 | 130 | 377.426 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 5.09 | -45.48 | 1 | 9 | -1 | 136 | 376.418 | 7 | ↓ |