UCSF

ZINC85536956

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 57 No

Popular Name: FDA FDA

Find On: PubMed — Wikipedia — Google

CAS Number: 125317-39-7

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) 5.92 15.43 -45.87 3 12 1 135 779.955 10 ↓
Mid Mid (pH 6-8) 5.92 17.82 -95.49 4 12 2 136 780.963 10 ↓
Mid Mid (pH 6-8) 5.92 13.3 -9.09 2 12 0 134 778.947 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01040v; 2 tartaric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01040v; SALT: 2 tartaric acid NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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