| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | No |
Popular Name: (4-nitro-1H-pyrrol-2-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-nitro-1H-pyrrol-2-yl)-(2,3,4,…
| 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) | 1.49 | 6.48 | -54.95 | 2 | 7 | 0 | 97 | 286.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 5.21 | -35.04 | 1 | 7 | -1 | 92 | 285.283 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.57 | -55.35 | 3 | 7 | 1 | 99 | 287.299 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
