UCSF

ZINC29339374

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 20 Yes

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) 3.29 6.73 -8.75 1 4 0 62 274.364 6

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 3 0.60 Binding ≤ 10μM
SCYD-1-F Scytalone Dehydratase (cluster #1 Of 1), Fungal Fungi 66 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCYD_MAGO7 P56221 Scytalone Dehydratase, Mago7 66 0.50 Binding ≤ 1μM
SCYD_MAGO7 P56221 Scytalone Dehydratase, Mago7 66 0.50 Binding ≤ 10μM

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