| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | No |
Popular Name: 1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(4-nitrophenyl)-N-(4H-1,2,4-tr…
| 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) | 0.41 | 4.67 | -12.35 | 2 | 7 | 0 | 99 | 233.231 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 6.03 | -67.31 | 3 | 7 | 1 | 104 | 234.239 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.41 | 5.9 | -47.88 | 2 | 7 | 0 | 102 | 233.231 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
