In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 26 | No |
Popular Name: N'-(2-chloro-4-methyl-phenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]oxamide N'-(2-chloro-4-methyl-phenyl)-N-…
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) | 2.12 | 6.12 | -36.43 | 3 | 6 | 1 | 66 | 381.928 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 3.84 | -6.45 | 2 | 6 | 0 | 65 | 380.92 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.