| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | No |
Popular Name: BRD-K34642070-001-02-5 BRD-K34642070-001-02-5
4-methyl-N'-[(5-nitro-2-thienyl)methylene]benzohydrazide
benzoic acid, 4-methyl-, [(5-nitro-2-thienyl)methylene]hydrazide
| 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) | 3.53 | 7.01 | -22.13 | 1 | 6 | 0 | 87 | 289.316 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-2-O | Leishmania Donovani (cluster #2 Of 8), Other | Other | 4490 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 4490 | 0.37 | Functional ≤ 10μM |
