UCSF

ZINC35802660

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 38 Yes

Popular Name: 4-[(9Z,15Z,19Z)-15-(4-hydroxyphenyl)-23,24-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one 4-[(9Z,15Z,19Z)-15-(4-hydroxyphe…

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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) 7.74 11.16 -77.46 6 6 2 100 496.57 2 ↓

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 7 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 7.09 0.30 Functional ≤ 10μM

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