UCSF

ZINC00895662

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 No

Popular Name: Phaseollidin Phaseollidin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37831-70-2 , [37831-70-2]

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) 4.47 -2.43 -7.81 2 4 0 58 324.376 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NANH-1-B Sialidase (cluster #1 Of 1), Bacterial Bacteria 2010 0.33 Binding ≤ 10μM
Z80088-3-O CHO (Ovarian Cells) (cluster #3 Of 3), Other Other 7600 0.30 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NANH_CLOPE P10481 Sialidase, Clope 1780 0.34 Binding ≤ 10μM
Z80088 Z80088 CHO (Ovarian Cells) 4000 0.31 ADME/T ≤ 10μM

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