In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 20th, 2009 | 26 | Yes |
Popular Name: N-[2-[[4-(azepan-1-ylmethyl)thiazol-2-yl]amino]-2-oxo-ethyl]benzamide N-[2-[[4-(azepan-1-ylmethyl)thia…
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) | 2.81 | 7.96 | -43.16 | 3 | 6 | 1 | 76 | 373.502 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 6.89 | -42.77 | 2 | 6 | 0 | 82 | 372.494 | 6 | ↓ |