| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2011 | 32 | No |
Popular Name: BRD-A34145622-003-05-3 BRD-A34145622-003-05-3
None
| 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) | -1.23 | -0.25 | -58.05 | 5 | 10 | -1 | 181 | 463.85 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.23 | 0.74 | -135.82 | 4 | 10 | -2 | 184 | 462.842 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | -1.6 | -134.52 | 5 | 10 | -2 | 187 | 462.842 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 1.44 | -59.37 | 6 | 10 | 0 | 182 | 464.858 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 0.6 | -115.34 | 6 | 10 | -1 | 188 | 463.85 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0126145A1; EP0126145B1; EP0129284A2; EP0129285A2; EP0129285B1; EP0136438A2; EP0136438B1; EP0178624A2; EP0250038A2; EP0250038B1; EP0256989A1; EP0257063A1; EP0257063B1; EP0257086A1; EP0257086B1; EP0267277B1; EP0267617A1; EP0267617B1; EP0280703A1; EP028070 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.