UCSF

ZINC19721273

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 36 Yes

Popular Name: 5,15-Diphenyl-21H,23H-porphine 5,15-Diphenyl-21H,23H-porphine

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CAS Numbers: 22112-89-6 , [22112-89-6]

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) 8.53 16.91 -70.86 4 4 2 60 464.572 2 ↓
Ref Reference (pH 7) 8.53 16.84 -71.05 4 4 2 60 464.572 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80928-5-O HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other Other 6 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 5.66 0.32 Functional ≤ 10μM

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