UCSF

ZINC05161554

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 Yes

Popular Name: 1,3-dihydroxy-N-methylacridone 1,3-dihydroxy-N-methylacridone

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CAS Number: 28333-02-0

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) 1.90 4.12 -48.03 1 4 -1 65 240.238 0 ↓
Mid Mid (pH 6-8) 1.90 3.34 -13.74 2 4 0 62 241.246 0 ↓
Mid Mid (pH 6-8) 1.90 4.32 -64.35 1 4 -1 65 240.238 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACS2_RUTGR; ACS3_RUTGR; ACS4_RUTGR ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80901-2-O HaCaT (Keratinocytes) (cluster #2 Of 2), Other Other 600 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80901 Z80901 HaCaT (Keratinocytes) 600 0.48 Functional ≤ 10μM

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