UCSF

ZINC02004968

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 22 Yes

Popular Name: Iromycin Iromycin

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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) 4.83 9.08 -47.52 1 3 -1 56 302.438 7 ↓
Mid Mid (pH 6-8) 5.29 -0.64 -9.18 2 3 0 53 303.446 7 ↓
Mid Mid (pH 6-8) 4.83 -0.64 -9.18 2 3 0 53 303.446 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100771-2-O Mitochondrial Complex I (cluster #2 Of 2), Other Other 461 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100771 Z100771 Mitochondrial Complex I 461 0.40 Binding ≤ 1μM
Z100771 Z100771 Mitochondrial Complex I 461 0.40 Binding ≤ 10μM

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

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