UCSF

ZINC05782171

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 23 No

Popular Name: mycin mycin

Find On: PubMed — Wikipedia — Google

CAS Number: 4803-27-4

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) -0.46 -8.02 -16.1 5 7 0 115 315.329 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 8 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80186 Z80186 K562 (Erythroleukemia Cells) 8 0.49 Functional ≤ 10μM

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