UCSF

ZINC33816304

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 No

Popular Name: methyl methyl

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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) 0.72 9.25 -24.92 4 12 0 164 488.441 11 ↓
Mid Mid (pH 6-8) 0.72 9.11 -55.29 5 12 1 168 489.449 11 ↓
Mid Mid (pH 6-8) 0.72 8.83 -50.44 5 12 1 168 489.449 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50518-3-O Human Herpesvirus 4 (cluster #3 Of 5), Other Other 3000 0.23 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 3000 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50518 Z50518 Human Herpesvirus 4 3000 0.23 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 3000 0.23 Functional ≤ 10μM

Rings

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