In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 25 | Yes |
Popular Name: BRD-K09655025-001-04-0 BRD-K09655025-001-04-0
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) | 4.43 | 10.96 | -41.41 | 1 | 4 | 1 | 38 | 358.893 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 10.55 | -10 | 0 | 4 | 0 | 36 | 357.885 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442-1-O | Candida Albicans (cluster #1 Of 4), Other | Other | 4000 | 0.30 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50442 | Z50442 | Candida Albicans | 1700 | 0.32 | Functional ≤ 10μM |