UCSF

ZINC13476428

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 20 Yes

Popular Name: DNC004386 DNC004386

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.84 10.09 -8.85 1 3 0 38 263.344 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 19 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCYD_MAGO7 P56221 Scytalone Dehydratase, Mago7 19 0.54 Binding ≤ 1μM
SCYD_MAGO7 P56221 Scytalone Dehydratase, Mago7 1800 0.40 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.