| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 21 | No |
Popular Name: 3-bromo-N'-[3-(cyanomethyl)benzoyl]-2H-pyrrole-5-carbohydrazide 3-bromo-N'-[3-(cyanomethyl)benzo…
| 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) | 0.93 | 3.18 | -14.22 | 2 | 6 | 0 | 94 | 347.172 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 1.35 | -53.8 | 1 | 6 | -1 | 101 | 346.164 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.65 | -53.32 | 1 | 6 | -1 | 101 | 346.164 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
