UCSF

ZINC03831475

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Succimer Succimer

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110-61-2 , 2418-14-6 , 304-55-2 , 65438-08-6 , [110-61-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.58 1.88 -96.74 0 4 -2 80 180.206 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 196 - 198 Acros Organics
MP 198 TCI
ALOGPS_SOLUBILITY 2.43e+00 g/l DrugBank-approved
Melting_Point ca 196? dec. Alfa-Aesar
Melting_Point ca 196° dec. Alfa-Aesar
therap chelating agent, antihypertensive MicroSource Spectrum
UniProt Database Links DSTOR_RHOSH; TATB_ECOLI; TATC_ECOLI ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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