UCSF

ZINC04134473

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 30 Yes

Popular Name: Lovastatin ammonium salt Lovastatin ammonium salt

Find On: PubMed — Wikipedia — Google

CAS Numbers: 237073-64-2 , [75225-50-2]

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) 3.54 -0.41 -52.66 2 6 -1 106 421.554 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.41e-02 g/l DrugBank-experimental
Indications antihypercholesterolemic KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 20 0.36 Binding ≤ 1μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 20 0.36 Binding ≤ 10μM

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