| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2011 | 22 | No |
Popular Name: (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-nitro-2-furyl)methanone (1-methyl-3,5-dihydro-2H-1,4-ben…
| 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) | 2.03 | 7.89 | -6.86 | 0 | 7 | 0 | 83 | 301.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 8.07 | -39.73 | 1 | 7 | 1 | 84 | 302.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
