UCSF

ZINC12358898

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 8 No

Popular Name: Formamidine disulfide dihydrochloride Formamidine disulfide dihydrochl…

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CAS Numbers: 14807-75-1 , [14807-75-1]

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) -0.51 -1.97 -92.08 8 4 2 103 152.248 3 ↓
Hi High (pH 8-9.5) -0.51 -1.7 -7.9 6 4 0 100 150.232 3 ↓
Mid Mid (pH 6-8) -0.51 -1.94 -32.77 7 4 1 101 151.24 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 175? dec. Alfa-Aesar
Melting_Point ca 175° dec. Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-5-O Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other Other 101 1.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 100.7 1.22 Functional ≤ 10μM

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

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