UCSF

ZINC18098613

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 27 Yes

Popular Name: N-[(3S)-3-acetyl-1-hydroxy-2-oxo-indolin-6-yl]naphthalene-2-carboxamide N-[(3S)-3-acetyl-1-hydroxy-2-oxo…

Find On: PubMed — Wikipedia — Google

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) 3.69 7.03 -145.11 1 6 -2 97 358.353 3 ↓
Mid Mid (pH 6-8) 3.69 5.99 -47.93 2 6 -1 94 359.361 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 9000 0.26 Functional ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 9000 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50522 Z50522 Unidentified Influenza Virus 9000 0.26 Functional ≤ 10μM

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

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