In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 35 | Yes |
Popular Name: 4-hexyl-N-[3-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-N-propyl-benzamide 4-hexyl-N-[3-[[5-(m-tolyl)-1,3,4…
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) | 6.79 | 15.37 | -21.72 | 1 | 6 | 0 | 75 | 492.689 | 13 | ↓ |
Hi High (pH 8-9.5) | 6.98 | 14.13 | -56.36 | 0 | 6 | -1 | 82 | 491.681 | 13 | ↓ |