UCSF

ZINC03831551

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 10 No

Popular Name: Tiopronin Tiopronin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1953-02-2 , 53-02-2

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) -1.56 1.37 -40.13 1 4 -1 69 162.19 3 ↓
Hi High (pH 8-9.5) -1.56 1.91 -96.35 1 4 -2 69 161.182 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 98 TCI
Therapy hepatoprotectant, mucolytic SMDC Iconix
Target Others Selleck Chemicals
Target ROS Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 1900 0.80 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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

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