In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 32 | Yes |
Popular Name: N-[4-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]thiazol-2-yl]benzamide N-[4-[2-oxo-2-[4-(p-tolylmethyl)…
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) | 3.66 | 13.1 | -51.27 | 2 | 6 | 1 | 67 | 449.6 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 11.69 | -76.97 | 1 | 6 | 0 | 73 | 448.592 | 6 | ↓ |