UCSF

ZINC12363441

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 7 Yes

Popular Name: CIS-1,2-CYCLOPENTANEDIOL CIS-1,2-CYCLOPENTANEDIOL

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CAS Numbers: 4065-92-3 , 5057-98-7 , 5057-99-8 , 52172-18-6

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) -0.07 -1.26 -5.25 2 2 0 40 102.133 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 32 - 33 Acros Organics
BP [°C] 83 - 83.5 (p=5 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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