| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | No |
Popular Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-(4-propylpiperazin-1-yl)propan-1-one 1-(3,4-dihydroxy-2-nitro-phenyl)…
| 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) | 1.68 | 5.99 | -75.61 | 2 | 8 | 0 | 114 | 337.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 3.69 | -51.12 | 1 | 8 | -1 | 113 | 336.368 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 6 | -74.96 | 2 | 8 | 0 | 114 | 337.376 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.24 | -49.59 | 3 | 8 | 1 | 111 | 338.384 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
