In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 19 | Yes |
Popular Name: 2-[4-(4-methylthiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-methylthiazole-5-carbony…
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) | -0.34 | 1.88 | -51.97 | 3 | 6 | 1 | 81 | 283.377 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.34 | 0.21 | -14.9 | 2 | 6 | 0 | 80 | 282.369 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.