UCSF

ZINC85427689

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2013 63 No

CAS Number: 303-98-0

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) 10.51 39.04 -6.94 0 4 0 53 863.365 31

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 4HPT_ARATH; A41_LEIDO; ACADM_HUMAN; ACPM1_ARATH; ACPM2_ARATH; ACPM3_ARATH; ACPM_BOVIN; ACPM_DICDI; ACPM_DROME; ACPM_GORGO; ACPM_HUMAN; ACPM_MOUSE; ACPM_NEUCR; ACPM_PANTR; ACPM_PONPY; ACPM_YEAST; ADCK3_HUMAN; ADCK4_DANRE; ADCK4_HUMAN; ADCK4_MOUSE; ADCK4_RA ChEBI
biological_use Cardiovascular agent IBScreen Bioactives IBScreen Bioactives
mechanism Electron transport chain regulator IBScreen Bioactives
Patent Database Links EP1550450; EP1698329; EP1700597; WO2007086689 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : C9538 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: C9538 NIH Clinical Collection via PubChem
biological_use used to treat congestive heart failure IBScreen Bioactives

Activity (Go SEA)

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

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