In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2011 | 30 | No |
Popular Name: 2-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-5-nitro-benzamide 2-(dimethylamino)-N-[4-(4-ethylp…
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) | 3.56 | 12.58 | -41.53 | 2 | 8 | 1 | 86 | 412.514 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 10.34 | -8.64 | 1 | 8 | 0 | 85 | 411.506 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.