UCSF

ZINC18107350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 20 No

Popular Name: N-[(2-oxoindolin-3-ylidene)amino]morpholine-4-carbothioamide N-[(2-oxoindolin-3-ylidene)amino…

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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) 2.49 2.72 -36.25 3 6 1 75 291.356 3 ↓
Ref Reference (pH 7) 1.58 4.26 -11.74 2 6 0 70 290.348 3 ↓
Ref Reference (pH 7) 1.58 4.38 -14.55 2 6 0 70 290.348 3 ↓
Hi High (pH 8-9.5) 2.04 2.57 -46.51 1 6 -1 73 289.34 3 ↓
Hi High (pH 8-9.5) 2.04 2.33 -41.04 1 6 -1 73 289.34 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50515-1-O Human Herpesvirus 2 (cluster #1 Of 2), Other Other 2740 0.39 Functional ≤ 10μM
Z50602-1-O Human Herpesvirus 1 (cluster #1 Of 5), Other Other 1300 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 1300 0.41 Functional ≤ 10μM
Z50515 Z50515 Human Herpesvirus 2 2740 0.39 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.