| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 25 | No |
Popular Name: 3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]-2-thioxo-quinazolin-4-olate 3-[3-(3-nitro-1,2,4-triazol-1-yl…
| 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) | 0.27 | 8.68 | -50.96 | 1 | 11 | -1 | 147 | 360.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 10.02 | -27.64 | 2 | 11 | 0 | 143 | 361.343 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
