UCSF

ZINC28646909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 32 Yes

Popular Name: 25-Hydroxycycloart-23-en-3-one 25-Hydroxycycloart-23-en-3-one

Find On: PubMed — Wikipedia — Google

CAS Number: [148044-47-7]

Other Names:

MFCD20274860

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) 6.57 13.06 -6.61 1 2 0 37 440.712 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50518-4-O Human Herpesvirus 4 (cluster #4 Of 5), Other Other 9 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50518 Z50518 Human Herpesvirus 4 8.6 0.35 Functional ≤ 10μM

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

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