| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 5th, 2011 | 24 | No |
Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-3-hydroxy-4-nitro-benzamide N-[3-(4-ethylpiperazin-1-yl)prop…
| 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) | 1.37 | 4.56 | -46.67 | 3 | 8 | 1 | 103 | 337.4 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 5.55 | -78.29 | 2 | 8 | 0 | 106 | 336.392 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 3.27 | -49 | 1 | 8 | -1 | 104 | 335.384 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.55 | -74.79 | 2 | 8 | 0 | 106 | 336.392 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
