In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2009 | 22 | Yes |
Popular Name: BRD-K14785728-001-01-4 BRD-K14785728-001-01-4
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) | 3.58 | 9.18 | -40.42 | 1 | 4 | 1 | 38 | 318.828 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 8.75 | -9.93 | 0 | 4 | 0 | 36 | 317.82 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442-1-O | Candida Albicans (cluster #1 Of 4), Other | Other | 6300 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442 | Z50442 | Candida Albicans | 6300 | 0.33 | Functional ≤ 10μM |