In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2009 | 24 | Yes |
Popular Name: BRD-K03340763-001-01-7 BRD-K03340763-001-01-7
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) | 3.92 | 10.29 | -41.54 | 1 | 4 | 1 | 38 | 344.866 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 9.88 | -10.2 | 0 | 4 | 0 | 36 | 343.858 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442-1-O | Candida Albicans (cluster #1 Of 4), Other | Other | 5300 | 0.31 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442 | Z50442 | Candida Albicans | 3600 | 0.32 | Functional ≤ 10μM |