In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 30 | No |
Popular Name: N-(8-chloro-5-isobutyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-nitro-benzamide N-(8-chloro-5-isobutyl-[1,2,4]tr…
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) | 4.54 | 13.23 | -17.32 | 1 | 9 | 0 | 119 | 424.848 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 11.58 | -50.04 | 0 | 9 | -1 | 125 | 423.84 | 5 | ↓ |