| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 25 | No |
Popular Name: [4-[(2-hydroxy-5-nitro-phenyl)methyl]piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-[(2-hydroxy-5-nitro-phenyl)me…
| 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) | 2.02 | 4.63 | -13.22 | 1 | 8 | 0 | 103 | 345.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 5.39 | -36.29 | 0 | 8 | -1 | 106 | 344.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 7.74 | -32.51 | 1 | 8 | 0 | 107 | 345.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 7.08 | -58.16 | 2 | 8 | 1 | 104 | 346.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
