| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | No |
Popular Name: (5-nitro-3-thienyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-nitro-3-thienyl)-(2,3,4,5-tet…
| 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) | 2.12 | 7.15 | -53.88 | 2 | 6 | 1 | 83 | 304.351 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 5.88 | -10.2 | 1 | 6 | 0 | 78 | 303.343 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
