UCSF

ZINC09212416

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 16 No

Popular Name: FDA FDA

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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) 1.21 4.06 -5.6 0 10 0 129 236.136 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102233-1-O Artery (cluster #1 Of 1), Other Other 420 0.56 Functional ≤ 10μM
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 4700 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102233 Z102233 Artery 420 0.56 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 4700 0.47 Functional ≤ 10μM

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